![3-[2-(benzylsulfanyl)-1H-benzimidazol-1-yl]propanoic acid structure](/static/products/3139/313958-05-3.webp)
3-[2-(benzylsulfanyl)-1H-benzimidazol-1-yl]propanoic acid
TL;DR: 3-[2-(benzylsulfanyl)-1H-benzimidazol-1-yl]propanoic acid (CAS 313958-05-3) is a chemical compound with molecular formula C17H16N2O2S and molecular weight 312.09326 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-benzylsulfanylbenzimidazol-1-yl)propanoic acid
Also Known As: BAS 00478243, 3-[2-(benzylsulfanyl)-1H-benzimidazol-1-yl]propanoic acid, 3-(2-benzylsulfanylbenzimidazol-1-yl)propanoic acid, AB00091442-01, 3-[2-(phenylmethylthio)benzimidazolyl]propanoic acid
Technical Specifications
| Molecular Formula | C17H16N2O2S |
| Molecular Weight | 312.09326 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 80.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.09326 Da |
| Heavy Atoms | 22 |
| Complexity | 374.0 |
| SMILES | C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2CCC(=O)O |
| InChIKey | CJNLUAPDQIJRJN-UHFFFAOYSA-N |
Chemical Property Profile of 3-[2-(benzylsulfanyl)-1H-benzimidazol-1-yl]propanoic acid
Property Insights of 3-[2-(benzylsulfanyl)-1H-benzimidazol-1-yl]propanoic acid
The XLogP value of 3.2 indicates that 3-[2-(benzylsulfanyl)-1H-benzimidazol-1-yl]propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(benzylsulfanyl)-1H-benzimidazol-1-yl]propanoic acid. Following Lipinski's Rule of Five, 3-[2-(benzylsulfanyl)-1H-benzimidazol-1-yl]propanoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-[2-(benzylsulfanyl)-1H-benzimidazol-1-yl]propanoic acid?
The CAS number of 3-[2-(benzylsulfanyl)-1H-benzimidazol-1-yl]propanoic acid is 313958-05-3.
What is the molecular formula of 3-[2-(benzylsulfanyl)-1H-benzimidazol-1-yl]propanoic acid?
The molecular formula of 3-[2-(benzylsulfanyl)-1H-benzimidazol-1-yl]propanoic acid is C17H16N2O2S.
What is the molecular weight of 3-[2-(benzylsulfanyl)-1H-benzimidazol-1-yl]propanoic acid?
The molecular weight of 3-[2-(benzylsulfanyl)-1H-benzimidazol-1-yl]propanoic acid is 312.09326 g/mol.
Where can I buy 3-[2-(benzylsulfanyl)-1H-benzimidazol-1-yl]propanoic acid?
You can request a quote for 3-[2-(benzylsulfanyl)-1H-benzimidazol-1-yl]propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[2-(benzylsulfanyl)-1H-benzimidazol-1-yl]propanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-[2-(benzylsulfanyl)-1H-benzimidazol-1-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.