BAS 06741513
TL;DR: BAS 06741513 (CAS 587010-68-2) is a chemical compound with molecular formula C17H15ClN2O4S2 and molecular weight 410.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: BAS 06741513, N-[2-(4-chlorophenyl)sulfanylethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide, N-(2-((4-chlorophenyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide, N-[2-(4-chlorophenylthio)ethyl]-2-(1,1,3-trioxo(2-hydrobenzo[d]isothiazol-2-yl ))acetamide, N-{2-[(4-CHLOROPHENYL)SULFANYL]ETHYL}-2-(1,1-DIOXIDO-3-OXO-1,2-BENZISOTHIAZOL-2(3H)-YL)ACETAMIDE
| Molecular Formula | C17H15ClN2O4S2 |
|---|---|
| Molecular Weight | 410.02 g/mol |
| LogP | 2.393 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.01617 |
| Heavy Atoms | 26 |
| Complexity | 945.4902 |
Chemical Identifiers
| CAS Number | 587010-68-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NCCSC3=CC=C(C=C3)Cl |
Product Overview
BAS 06741513 (CAS 587010-68-2), with molecular formula C17H15ClN2O4S2 and molecular weight 410.02 g/mol. IUPAC: N-[2-(4-chlorophenyl)sulfanylethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of BAS 06741513
Property Insights of BAS 06741513
The XLogP value of 2.393 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06741513. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06741513. Following Lipinski's Rule of Five, BAS 06741513 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 06741513?
The CAS number of BAS 06741513 is 587010-68-2.
What is the molecular formula of BAS 06741513?
The molecular formula of BAS 06741513 is C17H15ClN2O4S2.
What is the molecular weight of BAS 06741513?
The molecular weight of BAS 06741513 is 410.02 g/mol.
Where can I buy BAS 06741513?
You can request a quote for BAS 06741513 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06741513?
Yes, KEHONG BIO provides custom synthesis services for BAS 06741513 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.