BAS 06739962
TL;DR: BAS 06739962 (CAS 573934-79-9) is a chemical compound with molecular formula C16H14N2O4S2 and molecular weight 362.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methylsulfanylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: BAS 06739962, 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-[3-(methylsulfanyl)phenyl]acetamide, N-(3-methylsulfanylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide, N-[3-(methylthio)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide, 2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(3-(methylthio)phenyl)acetamide
| Molecular Formula | C16H14N2O4S2 |
|---|---|
| Molecular Weight | 362.04 g/mol |
| LogP | 2.1917 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.0395 |
| Heavy Atoms | 24 |
| Complexity | 925.17957 |
Chemical Identifiers
| CAS Number | 573934-79-9 |
|---|---|
| SMILES | CSC1=CC=CC(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
BAS 06739962 (CAS 573934-79-9), with molecular formula C16H14N2O4S2 and molecular weight 362.04 g/mol. IUPAC: N-(3-methylsulfanylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of BAS 06739962
Property Insights of BAS 06739962
The XLogP value of 2.1917 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06739962. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06739962. Following Lipinski's Rule of Five, BAS 06739962 has 1 hydrogen bond donor(s) and 5 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 BAS 06739962?
The CAS number of BAS 06739962 is 573934-79-9.
What is the molecular formula of BAS 06739962?
The molecular formula of BAS 06739962 is C16H14N2O4S2.
What is the molecular weight of BAS 06739962?
The molecular weight of BAS 06739962 is 362.04 g/mol.
Where can I buy BAS 06739962?
You can request a quote for BAS 06739962 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06739962?
Yes, KEHONG BIO provides custom synthesis services for BAS 06739962 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.