BAS 06738822
TL;DR: BAS 06738822 (CAS 586986-61-0) is a chemical compound with molecular formula C19H20N2O4S2 and molecular weight 404.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: BAS 06738822, N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide, 2-(1,1-DIOXIDO-3-OXO-1,2-BENZISOTHIAZOL-2(3H)-YL)-N-{2-[(3-METHYLBENZYL)SULFANYL]ETHYL}ACETAMIDE, 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2-[(3-methylbenzyl)sulfanyl]ethyl}acetamide, 2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(2-((3-methylbenzyl)thio)ethyl)acetamide
| Molecular Formula | C19H20N2O4S2 |
|---|---|
| Molecular Weight | 404.09 g/mol |
| LogP | 2.18912 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 404.08646 |
| Heavy Atoms | 27 |
| Complexity | 973.1799 |
Chemical Identifiers
| CAS Number | 586986-61-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSCCNC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
BAS 06738822 (CAS 586986-61-0), with molecular formula C19H20N2O4S2 and molecular weight 404.09 g/mol. IUPAC: N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of BAS 06738822
Property Insights of BAS 06738822
The XLogP value of 2.18912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06738822. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06738822. Following Lipinski's Rule of Five, BAS 06738822 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 06738822?
The CAS number of BAS 06738822 is 586986-61-0.
What is the molecular formula of BAS 06738822?
The molecular formula of BAS 06738822 is C19H20N2O4S2.
What is the molecular weight of BAS 06738822?
The molecular weight of BAS 06738822 is 404.09 g/mol.
Where can I buy BAS 06738822?
You can request a quote for BAS 06738822 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06738822?
Yes, KEHONG BIO provides custom synthesis services for BAS 06738822 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.