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(2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid structure
Fine Chemical

(2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid

TL;DR: (2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid (CAS 1173681-93-0) is a chemical compound with molecular formula C18H23N5O4S and molecular weight 405.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid

Also Known As: (2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid, (S)-2-((S)-2-(2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamido)-4-(methylthio)butanamido)propanoic acid

CAS Number
1173681-93-0
Molecular Formula
C18H23N5O4S
Molecular Weight
405.14706 g/mol
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Technical Specifications

Molecular FormulaC18H23N5O4S
Molecular Weight405.14706 g/mol
XLogP1.1
Topological Polar Surface Area (TPSA)142.0 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors6
Rotatable Bonds7
Exact Mass405.14706 Da
Heavy Atoms28
Complexity607.0
SMILESC[C@@H](C(=O)O)NC(=O)[C@H](CCSC)NC(=O)N1CCN2C1=NC3=CC=CC=C32
InChIKeyIQWFGUQAIYZERE-AAEUAGOBSA-N

Chemical Property Profile of (2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid

XLogP
1.1
TPSA (Topological Polar Surface Area)
142.0
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
Rotatable Bonds
7
Heavy Atoms
28
Complexity
607.0
Exact Mass
405.14706
Monoisotopic Mass
405.14706
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of (2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid

The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid. The TPSA of 142.0 Ų indicates high polarity, suggesting (2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of (2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid?

The CAS number of (2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid is 1173681-93-0.

What is the molecular formula of (2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid?

The molecular formula of (2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid is C18H23N5O4S.

What is the molecular weight of (2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid?

The molecular weight of (2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid is 405.14706 g/mol.

Where can I buy (2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid?

You can request a quote for (2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for (2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid?

Yes, CoreyChem provides custom synthesis services for (2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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