![2-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]benzoic acid structure](/static/products/7337/733795-48-7.webp)
2-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]benzoic acid
TL;DR: 2-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]benzoic acid (CAS 733795-48-7) is a chemical compound with molecular formula C15H12N2O2S and molecular weight 284.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid
Also Known As: 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid, 2-(1H-benzoimidazol-2-ylsulfanylmethyl)benzoic Acid, 2-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]benzoic acid
| Molecular Formula | C15H12N2O2S |
|---|---|
| Molecular Weight | 284.06 g/mol |
| LogP | 3.5534 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.06195 |
| Heavy Atoms | 20 |
| Complexity | 734.1643 |
Chemical Identifiers
| CAS Number | 733795-48-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3N2)C(=O)O |
Product Overview
2-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]benzoic acid (CAS 733795-48-7), with molecular formula C15H12N2O2S and molecular weight 284.06 g/mol. IUPAC: 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid.
Chemical Property Profile of 2-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]benzoic acid
Property Insights of 2-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]benzoic acid
The XLogP value of 3.5534 indicates that 2-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]benzoic 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-1,3-benzodiazol-2-ylsulfanyl)methyl]benzoic acid. Following Lipinski's Rule of Five, 2-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]benzoic 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-1,3-benzodiazol-2-ylsulfanyl)methyl]benzoic acid?
The CAS number of 2-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]benzoic acid is 733795-48-7.
What is the molecular formula of 2-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]benzoic acid?
The molecular formula of 2-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]benzoic acid is C15H12N2O2S.
What is the molecular weight of 2-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]benzoic acid?
The molecular weight of 2-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]benzoic acid is 284.06 g/mol.
Where can I buy 2-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]benzoic acid?
You can request a quote for 2-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]benzoic 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-1,3-benzodiazol-2-ylsulfanyl)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.