BAS 06740939
TL;DR: BAS 06740939 (CAS 438595-57-4) is a chemical compound with molecular formula C16H10ClF3N2O4S and molecular weight 418.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: BAS 06740939, AH-487/42145410, N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide, N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide, N-(4-chloro-3-(trifluoromethyl)phenyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide
| Molecular Formula | C16H10ClF3N2O4S |
|---|---|
| Molecular Weight | 418.00 g/mol |
| LogP | 3.142 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.00018 |
| Heavy Atoms | 27 |
| Complexity | 1053.8712 |
Chemical Identifiers
| CAS Number | 438595-57-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F |
Product Overview
BAS 06740939 (CAS 438595-57-4), with molecular formula C16H10ClF3N2O4S and molecular weight 418.00 g/mol. IUPAC: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of BAS 06740939
Property Insights of BAS 06740939
The XLogP value of 3.142 indicates that BAS 06740939 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06740939. Following Lipinski's Rule of Five, BAS 06740939 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 06740939?
The CAS number of BAS 06740939 is 438595-57-4.
What is the molecular formula of BAS 06740939?
The molecular formula of BAS 06740939 is C16H10ClF3N2O4S.
What is the molecular weight of BAS 06740939?
The molecular weight of BAS 06740939 is 418.00 g/mol.
Where can I buy BAS 06740939?
You can request a quote for BAS 06740939 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06740939?
Yes, KEHONG BIO provides custom synthesis services for BAS 06740939 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.