2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-chlorophenyl)propanoic acid
TL;DR: 2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-chlorophenyl)propanoic acid (CAS 385380-72-3) is a chemical compound with molecular formula C16H13ClN2O2S and molecular weight 332.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-chlorophenyl)propanoic acid
Also Known As: 2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-chlorophenyl)propanoic acid, 2-benzimidazol-2-ylthio-3-(4-chlorophenyl)propanoic acid, 2-(1H-benzoimidazol-2-ylsulfanyl)-3-(4-chlorophenyl)propanoic Acid, 2-((1H-benzo[d]imidazol-2-yl)thio)-3-(4-chlorophenyl)propanoic acid
| Molecular Formula | C16H13ClN2O2S |
|---|---|
| Molecular Weight | 332.04 g/mol |
| LogP | 4.0043 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.03864 |
| Heavy Atoms | 22 |
| Complexity | 768.2708 |
Chemical Identifiers
| CAS Number | 385380-72-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SC(CC3=CC=C(C=C3)Cl)C(=O)O |
Product Overview
2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-chlorophenyl)propanoic acid (CAS 385380-72-3), with molecular formula C16H13ClN2O2S and molecular weight 332.04 g/mol. IUPAC: 2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-chlorophenyl)propanoic acid.
Chemical Property Profile of 2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-chlorophenyl)propanoic acid
Property Insights of 2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-chlorophenyl)propanoic acid
The XLogP value of 4.0043 indicates that 2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-chlorophenyl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-chlorophenyl)propanoic acid. Following Lipinski's Rule of Five, 2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-chlorophenyl)propanoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-chlorophenyl)propanoic acid?
The CAS number of 2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-chlorophenyl)propanoic acid is 385380-72-3.
What is the molecular formula of 2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-chlorophenyl)propanoic acid?
The molecular formula of 2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-chlorophenyl)propanoic acid is C16H13ClN2O2S.
What is the molecular weight of 2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-chlorophenyl)propanoic acid?
The molecular weight of 2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-chlorophenyl)propanoic acid is 332.04 g/mol.
Where can I buy 2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-chlorophenyl)propanoic acid?
You can request a quote for 2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-chlorophenyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-chlorophenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-chlorophenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.