![3-[(1,3-Benzoxazol-2-ylthio)methyl]benzoic acid structure](/static/products/915/915880-65-8.png)
3-[(1,3-Benzoxazol-2-ylthio)methyl]benzoic acid
TL;DR: 3-[(1,3-Benzoxazol-2-ylthio)methyl]benzoic acid (CAS 915880-65-8) is a chemical compound with molecular formula C15H11NO3S and molecular weight 285.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoic acid
Also Known As: 3-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid, 3-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoic acid, 3-[(1,3-benzoxazol-2-ylsulfanyl)methyl]benzoic acid, 3-(benzooxazol-2-ylsulfanylmethyl)benzoic Acid, 3-(benzoxazol-2-ylthiomethyl)benzoic acid
| Molecular Formula | C15H11NO3S |
|---|---|
| Molecular Weight | 285.05 g/mol |
| LogP | 3.8183 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.04596 |
| Heavy Atoms | 20 |
| Complexity | 733.4094 |
Chemical Identifiers
| CAS Number | 915880-65-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)SCC3=CC(=CC=C3)C(=O)O |
Product Overview
3-[(1,3-Benzoxazol-2-ylthio)methyl]benzoic acid (CAS 915880-65-8), with molecular formula C15H11NO3S and molecular weight 285.05 g/mol. IUPAC: 3-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoic acid.
Chemical Property Profile of 3-[(1,3-Benzoxazol-2-ylthio)methyl]benzoic acid
Property Insights of 3-[(1,3-Benzoxazol-2-ylthio)methyl]benzoic acid
The XLogP value of 3.8183 indicates that 3-[(1,3-Benzoxazol-2-ylthio)methyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(1,3-Benzoxazol-2-ylthio)methyl]benzoic acid. Following Lipinski's Rule of Five, 3-[(1,3-Benzoxazol-2-ylthio)methyl]benzoic 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-[(1,3-Benzoxazol-2-ylthio)methyl]benzoic acid?
The CAS number of 3-[(1,3-Benzoxazol-2-ylthio)methyl]benzoic acid is 915880-65-8.
What is the molecular formula of 3-[(1,3-Benzoxazol-2-ylthio)methyl]benzoic acid?
The molecular formula of 3-[(1,3-Benzoxazol-2-ylthio)methyl]benzoic acid is C15H11NO3S.
What is the molecular weight of 3-[(1,3-Benzoxazol-2-ylthio)methyl]benzoic acid?
The molecular weight of 3-[(1,3-Benzoxazol-2-ylthio)methyl]benzoic acid is 285.05 g/mol.
Where can I buy 3-[(1,3-Benzoxazol-2-ylthio)methyl]benzoic acid?
You can request a quote for 3-[(1,3-Benzoxazol-2-ylthio)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 3-[(1,3-Benzoxazol-2-ylthio)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1,3-Benzoxazol-2-ylthio)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.