![3-[(1-Benzyl-1H-benzimidazol-2-yl)thio]-propanoic acid structure](/static/products/3031/303132-83-4.webp)
3-[(1-Benzyl-1H-benzimidazol-2-yl)thio]-propanoic acid
TL;DR: 3-[(1-Benzyl-1H-benzimidazol-2-yl)thio]-propanoic acid (CAS 303132-83-4) is a chemical compound with molecular formula C17H16N2O2S and molecular weight 312.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzylbenzimidazol-2-yl)sulfanylpropanoic acid
Also Known As: 3-[(1-Benzyl-1H-benzimidazol-2-yl)thio]-propanoic acid, 9562AD, 3-(1-benzylbenzimidazol-2-yl)sulfanylpropanoic acid, BAS 00665319, 3-((1-Benzyl-1H-benzo[d]imidazol-2-yl)thio)propanoic acid
| Molecular Formula | C17H16N2O2S |
|---|---|
| Molecular Weight | 312.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.09326 |
| Heavy Atoms | 22 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 303132-83-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCCC(=O)O |
| InChIKey | UDUOYLNQWQXCTM-UHFFFAOYSA-N |
Product Overview
3-[(1-Benzyl-1H-benzimidazol-2-yl)thio]-propanoic acid (CAS 303132-83-4), with molecular formula C17H16N2O2S and molecular weight 312.09 g/mol. IUPAC: 3-(1-benzylbenzimidazol-2-yl)sulfanylpropanoic acid.
Chemical Property Profile of 3-[(1-Benzyl-1H-benzimidazol-2-yl)thio]-propanoic acid
Property Insights of 3-[(1-Benzyl-1H-benzimidazol-2-yl)thio]-propanoic acid
The XLogP value of 3.4 indicates that 3-[(1-Benzyl-1H-benzimidazol-2-yl)thio]-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-[(1-Benzyl-1H-benzimidazol-2-yl)thio]-propanoic acid. Following Lipinski's Rule of Five, 3-[(1-Benzyl-1H-benzimidazol-2-yl)thio]-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
Frequently Asked Questions
What is the CAS number of 3-[(1-Benzyl-1H-benzimidazol-2-yl)thio]-propanoic acid?
The CAS number of 3-[(1-Benzyl-1H-benzimidazol-2-yl)thio]-propanoic acid is 303132-83-4.
What is the molecular formula of 3-[(1-Benzyl-1H-benzimidazol-2-yl)thio]-propanoic acid?
The molecular formula of 3-[(1-Benzyl-1H-benzimidazol-2-yl)thio]-propanoic acid is C17H16N2O2S.
What is the molecular weight of 3-[(1-Benzyl-1H-benzimidazol-2-yl)thio]-propanoic acid?
The molecular weight of 3-[(1-Benzyl-1H-benzimidazol-2-yl)thio]-propanoic acid is 312.09 g/mol.
Where can I buy 3-[(1-Benzyl-1H-benzimidazol-2-yl)thio]-propanoic acid?
You can request a quote for 3-[(1-Benzyl-1H-benzimidazol-2-yl)thio]-propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(1-Benzyl-1H-benzimidazol-2-yl)thio]-propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1-Benzyl-1H-benzimidazol-2-yl)thio]-propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.