![2-{[(5-Methyl-1,2-oxazol-3-yl)methyl]sulfanyl}benzoic acid structure](/static/products/854/854357-41-8.png)
2-{[(5-Methyl-1,2-oxazol-3-yl)methyl]sulfanyl}benzoic acid
TL;DR: 2-{[(5-Methyl-1,2-oxazol-3-yl)methyl]sulfanyl}benzoic acid (CAS 854357-41-8) is a chemical compound with molecular formula C12H11NO3S and molecular weight 249.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoic acid
Also Known As: 2-{[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}benzoic acid, 2-{[(5-methylisoxazol-3-yl)methyl]thio}benzoic acid, 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoic Acid, Benzoic acid, 2-[[(5-methyl-3-isoxazolyl)methyl]thio], 2-(((5-METHYLISOXAZOL-3-YL)METHYL)THIO)BENZOIC ACID
| Molecular Formula | C12H11NO3S |
|---|---|
| Molecular Weight | 249.05 g/mol |
| LogP | 2.97352 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.04596 |
| Heavy Atoms | 17 |
| Complexity | 536.05194 |
Chemical Identifiers
| CAS Number | 854357-41-8 |
|---|---|
| SMILES | CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)O |
Product Overview
2-{[(5-Methyl-1,2-oxazol-3-yl)methyl]sulfanyl}benzoic acid (CAS 854357-41-8), with molecular formula C12H11NO3S and molecular weight 249.05 g/mol. IUPAC: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoic acid.
Chemical Property Profile of 2-{[(5-Methyl-1,2-oxazol-3-yl)methyl]sulfanyl}benzoic acid
Property Insights of 2-{[(5-Methyl-1,2-oxazol-3-yl)methyl]sulfanyl}benzoic acid
The XLogP value of 2.97352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(5-Methyl-1,2-oxazol-3-yl)methyl]sulfanyl}benzoic acid. The TPSA of 63.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(5-Methyl-1,2-oxazol-3-yl)methyl]sulfanyl}benzoic acid. Following Lipinski's Rule of Five, 2-{[(5-Methyl-1,2-oxazol-3-yl)methyl]sulfanyl}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 2-{[(5-Methyl-1,2-oxazol-3-yl)methyl]sulfanyl}benzoic acid?
The CAS number of 2-{[(5-Methyl-1,2-oxazol-3-yl)methyl]sulfanyl}benzoic acid is 854357-41-8.
What is the molecular formula of 2-{[(5-Methyl-1,2-oxazol-3-yl)methyl]sulfanyl}benzoic acid?
The molecular formula of 2-{[(5-Methyl-1,2-oxazol-3-yl)methyl]sulfanyl}benzoic acid is C12H11NO3S.
What is the molecular weight of 2-{[(5-Methyl-1,2-oxazol-3-yl)methyl]sulfanyl}benzoic acid?
The molecular weight of 2-{[(5-Methyl-1,2-oxazol-3-yl)methyl]sulfanyl}benzoic acid is 249.05 g/mol.
Where can I buy 2-{[(5-Methyl-1,2-oxazol-3-yl)methyl]sulfanyl}benzoic acid?
You can request a quote for 2-{[(5-Methyl-1,2-oxazol-3-yl)methyl]sulfanyl}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-{[(5-Methyl-1,2-oxazol-3-yl)methyl]sulfanyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(5-Methyl-1,2-oxazol-3-yl)methyl]sulfanyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.