7N-398S
TL;DR: 7N-398S (CAS 866131-07-9) is a chemical compound with molecular formula C17H12ClF6NO4S and molecular weight 475.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(trifluoromethyl)phenyl] 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetate
Also Known As: 7N-398S, 3-(trifluoromethyl)phenyl 2-[2-chloro(methylsulfonyl)-5-(trifluoromethyl)anilino]acetate, [3-(trifluoromethyl)phenyl] 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetate, 3-(trifluoromethyl)phenyl 2-{N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamido}acetate, 3-(trifluoromethyl)phenyl2-{N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamido}acetate
| Molecular Formula | C17H12ClF6NO4S |
|---|---|
| Molecular Weight | 475.01 g/mol |
| LogP | 4.7492 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.00797 |
| Heavy Atoms | 30 |
| Complexity | 1052.9445 |
Chemical Identifiers
| CAS Number | 866131-07-9 |
|---|---|
| SMILES | CS(=O)(=O)N(CC(=O)OC1=CC=CC(=C1)C(F)(F)F)C2=C(C=CC(=C2)C(F)(F)F)Cl |
Product Overview
7N-398S (CAS 866131-07-9), with molecular formula C17H12ClF6NO4S and molecular weight 475.01 g/mol. IUPAC: [3-(trifluoromethyl)phenyl] 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetate.
Chemical Property Profile of 7N-398S
Property Insights of 7N-398S
The XLogP value of 4.7492 indicates that 7N-398S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 7N-398S. Following Lipinski's Rule of Five, 7N-398S has 0 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 7N-398S?
The CAS number of 7N-398S is 866131-07-9.
What is the molecular formula of 7N-398S?
The molecular formula of 7N-398S is C17H12ClF6NO4S.
What is the molecular weight of 7N-398S?
The molecular weight of 7N-398S is 475.01 g/mol.
Where can I buy 7N-398S?
You can request a quote for 7N-398S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7N-398S?
Yes, KEHONG BIO provides custom synthesis services for 7N-398S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.