BAS 06497331
TL;DR: BAS 06497331 (CAS 354786-10-0) is a chemical compound with molecular formula C16H11F3N2O4S and molecular weight 384.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: BAS 06497331, VU0495732-1, 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-[3-(trifluoromethyl)phenyl]acetamide, AO-081/13878018, F2748-0134
| Molecular Formula | C16H11F3N2O4S |
|---|---|
| Molecular Weight | 384.04 g/mol |
| LogP | 2.4886 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.03915 |
| Heavy Atoms | 26 |
| Complexity | 1002.5496 |
Chemical Identifiers
| CAS Number | 354786-10-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
BAS 06497331 (CAS 354786-10-0), with molecular formula C16H11F3N2O4S and molecular weight 384.04 g/mol. IUPAC: N-[3-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of BAS 06497331
Property Insights of BAS 06497331
The XLogP value of 2.4886 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06497331. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06497331. Following Lipinski's Rule of Five, BAS 06497331 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 BAS 06497331?
The CAS number of BAS 06497331 is 354786-10-0.
What is the molecular formula of BAS 06497331?
The molecular formula of BAS 06497331 is C16H11F3N2O4S.
What is the molecular weight of BAS 06497331?
The molecular weight of BAS 06497331 is 384.04 g/mol.
Where can I buy BAS 06497331?
You can request a quote for BAS 06497331 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06497331?
Yes, KEHONG BIO provides custom synthesis services for BAS 06497331 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.