BAS 06739813
TL;DR: BAS 06739813 (CAS 679820-34-9) is a chemical compound with molecular formula C18H17ClN2O4S2 and molecular weight 424.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: BAS 06739813, N-(2-((2-chlorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide, N-[2-(2-Chloro-benzylsulfanyl)-ethyl]-2-(1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-yl)-acetamide, N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide, N-{2-[(2-CHLOROBENZYL)SULFANYL]ETHYL}-2-(1,1-DIOXIDO-3-OXO-1,2-BENZISOTHIAZOL-2(3H)-YL)ACETAMIDE
| Molecular Formula | C18H17ClN2O4S2 |
|---|---|
| Molecular Weight | 424.03 g/mol |
| LogP | 2.5341 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.03183 |
| Heavy Atoms | 27 |
| Complexity | 978.83185 |
Chemical Identifiers
| CAS Number | 679820-34-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSCCNC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)Cl |
Product Overview
BAS 06739813 (CAS 679820-34-9), with molecular formula C18H17ClN2O4S2 and molecular weight 424.03 g/mol. IUPAC: N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of BAS 06739813
Property Insights of BAS 06739813
The XLogP value of 2.5341 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06739813. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06739813. Following Lipinski's Rule of Five, BAS 06739813 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 06739813?
The CAS number of BAS 06739813 is 679820-34-9.
What is the molecular formula of BAS 06739813?
The molecular formula of BAS 06739813 is C18H17ClN2O4S2.
What is the molecular weight of BAS 06739813?
The molecular weight of BAS 06739813 is 424.03 g/mol.
Where can I buy BAS 06739813?
You can request a quote for BAS 06739813 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06739813?
Yes, KEHONG BIO provides custom synthesis services for BAS 06739813 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.