![2-{[(Dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}benzoic acid structure](/static/products/7937/793715-99-8.webp)
2-{[(Dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}benzoic acid
TL;DR: 2-{[(Dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}benzoic acid (CAS 793715-99-8) is a chemical compound with molecular formula C13H13NO3S and molecular weight 263.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoic acid
Also Known As: 2-{[(dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}benzoic acid, 2-{[(3,5-dimethylisoxazol-4-yl)methyl]thio}benzoic acid, 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoic Acid, 2-([(3,5-DIMETHYLISOXAZOL-4-YL)METHYL]THIO)BENZOIC ACID, 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]benzoic acid
| Molecular Formula | C13H13NO3S |
|---|---|
| Molecular Weight | 263.06 g/mol |
| LogP | 3.28194 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.0616 |
| Heavy Atoms | 18 |
| Complexity | 557.86536 |
Chemical Identifiers
| CAS Number | 793715-99-8 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)O |
Product Overview
2-{[(Dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}benzoic acid (CAS 793715-99-8), with molecular formula C13H13NO3S and molecular weight 263.06 g/mol. IUPAC: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoic acid.
Chemical Property Profile of 2-{[(Dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}benzoic acid
Property Insights of 2-{[(Dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}benzoic acid
The XLogP value of 3.28194 indicates that 2-{[(Dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}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 2-{[(Dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}benzoic acid. Following Lipinski's Rule of Five, 2-{[(Dimethyl-1,2-oxazol-4-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-{[(Dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}benzoic acid?
The CAS number of 2-{[(Dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}benzoic acid is 793715-99-8.
What is the molecular formula of 2-{[(Dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}benzoic acid?
The molecular formula of 2-{[(Dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}benzoic acid is C13H13NO3S.
What is the molecular weight of 2-{[(Dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}benzoic acid?
The molecular weight of 2-{[(Dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}benzoic acid is 263.06 g/mol.
Where can I buy 2-{[(Dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}benzoic acid?
You can request a quote for 2-{[(Dimethyl-1,2-oxazol-4-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-{[(Dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(Dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.