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Phosphonic acid, [(3S)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]- structure
Fine Chemical

Phosphonic acid, [(3S)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]-

TL;DR: Phosphonic acid, [(3S)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]- (CAS 1246817-25-3) is a chemical compound with molecular formula C16H27N2O4P and molecular weight 342.17084 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

[(3S)-3-amino-4-(3-hexylanilino)-4-oxobutyl]phosphonic acid

Also Known As: nchembio804-comp2b, W140 trifluoroacetate salt, [(3S)-3-amino-4-(3-hexylanilino)-4-oxobutyl]phosphonic acid, [(3S)-3-Amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]phosphonic acid, W140

CAS Number
1246817-25-3
Molecular Formula
C16H27N2O4P
Molecular Weight
342.17084 g/mol
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Technical Specifications

Molecular FormulaC16H27N2O4P
Molecular Weight342.17084 g/mol
XLogP-0.6
Topological Polar Surface Area (TPSA)113.0 Ų
Hydrogen Bond Donors4
Hydrogen Bond Acceptors5
Rotatable Bonds10
Exact Mass342.17084 Da
Heavy Atoms23
Complexity400.0
SMILESCCCCCCC1=CC(=CC=C1)NC(=O)[C@H](CCP(=O)(O)O)N
InChIKeyFWJRVGZWNDOOFH-HNNXBMFYSA-N

Chemical Property Profile of Phosphonic acid, [(3S)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]-

XLogP
-0.6
TPSA (Topological Polar Surface Area)
113.0
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
Rotatable Bonds
10
Heavy Atoms
23
Complexity
400.0
Exact Mass
342.17084
Monoisotopic Mass
342.17084
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 Phosphonic acid, [(3S)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]-

The XLogP value of -0.6 indicates that Phosphonic acid, [(3S)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, [(3S)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]-. Following Lipinski's Rule of Five, Phosphonic acid, [(3S)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]- has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Phosphonic acid, [(3S)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]-?

The CAS number of Phosphonic acid, [(3S)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]- is 1246817-25-3.

What is the molecular formula of Phosphonic acid, [(3S)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]-?

The molecular formula of Phosphonic acid, [(3S)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]- is C16H27N2O4P.

What is the molecular weight of Phosphonic acid, [(3S)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]-?

The molecular weight of Phosphonic acid, [(3S)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]- is 342.17084 g/mol.

Where can I buy Phosphonic acid, [(3S)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]-?

You can request a quote for Phosphonic acid, [(3S)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Phosphonic acid, [(3S)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]-?

Yes, CoreyChem provides custom synthesis services for Phosphonic acid, [(3S)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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