![S-{2-[(3-acetylphenyl)amino]-2-oxoethyl} benzenecarbothioate structure](/static/products/6387/63877-65-6.webp)
S-{2-[(3-acetylphenyl)amino]-2-oxoethyl} benzenecarbothioate
TL;DR: S-{2-[(3-acetylphenyl)amino]-2-oxoethyl} benzenecarbothioate (CAS 63877-65-6) is a chemical compound with molecular formula C17H15NO3S and molecular weight 313.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-(3-acetylanilino)-2-oxoethyl] benzenecarbothioate
Also Known As: S-{2-[(3-acetylphenyl)amino]-2-oxoethyl} benzenecarbothioate, Acetamide, 2-benzoylthio-N-(3-acetylphenyl)-, S-[2-(3-Acetylanilino)-2-oxoethyl] benzenecarbothioate, N-(3-Acetylphenyl)(benzoylsulfanyl)ethanimidic acid, N-(3-acetylphenyl)-2-(phenylcarbonylthio)acetamide
| Molecular Formula | C17H15NO3S |
|---|---|
| Molecular Weight | 313.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.07727 |
| Heavy Atoms | 22 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 63877-65-6 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)NC(=O)CSC(=O)C2=CC=CC=C2 |
| InChIKey | PXVBDIWTWOBFKS-UHFFFAOYSA-N |
Product Overview
S-{2-[(3-acetylphenyl)amino]-2-oxoethyl} benzenecarbothioate (CAS 63877-65-6), with molecular formula C17H15NO3S and molecular weight 313.08 g/mol. IUPAC: S-[2-(3-acetylanilino)-2-oxoethyl] benzenecarbothioate.
Chemical Property Profile of S-{2-[(3-acetylphenyl)amino]-2-oxoethyl} benzenecarbothioate
Property Insights of S-{2-[(3-acetylphenyl)amino]-2-oxoethyl} benzenecarbothioate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-{2-[(3-acetylphenyl)amino]-2-oxoethyl} benzenecarbothioate. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for S-{2-[(3-acetylphenyl)amino]-2-oxoethyl} benzenecarbothioate. Following Lipinski's Rule of Five, S-{2-[(3-acetylphenyl)amino]-2-oxoethyl} benzenecarbothioate 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 S-{2-[(3-acetylphenyl)amino]-2-oxoethyl} benzenecarbothioate?
The CAS number of S-{2-[(3-acetylphenyl)amino]-2-oxoethyl} benzenecarbothioate is 63877-65-6.
What is the molecular formula of S-{2-[(3-acetylphenyl)amino]-2-oxoethyl} benzenecarbothioate?
The molecular formula of S-{2-[(3-acetylphenyl)amino]-2-oxoethyl} benzenecarbothioate is C17H15NO3S.
What is the molecular weight of S-{2-[(3-acetylphenyl)amino]-2-oxoethyl} benzenecarbothioate?
The molecular weight of S-{2-[(3-acetylphenyl)amino]-2-oxoethyl} benzenecarbothioate is 313.08 g/mol.
Where can I buy S-{2-[(3-acetylphenyl)amino]-2-oxoethyl} benzenecarbothioate?
You can request a quote for S-{2-[(3-acetylphenyl)amino]-2-oxoethyl} benzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-{2-[(3-acetylphenyl)amino]-2-oxoethyl} benzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-{2-[(3-acetylphenyl)amino]-2-oxoethyl} benzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.