11K-538S
TL;DR: 11K-538S (CAS 303147-33-3) is a chemical compound with molecular formula C21H12ClF3N2OS and molecular weight 432.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-chlorophenyl)sulfanyl-5-cyanophenyl]-3-(trifluoromethyl)benzamide
Also Known As: 11K-538S, N-[2-(4-chlorophenyl)sulfanyl-5-cyanophenyl]-3-(trifluoromethyl)benzamide, N-{2-[(4-chlorophenyl)sulfanyl]-5-cyanophenyl}-3-(trifluoromethyl)benzenecarboxamide, N-{2-[(4-chlorophenyl)sulfanyl]-5-cyanophenyl}-3-(trifluoromethyl)benzamide, N-[2-(4-chlorophenyl)sulfanyl-5-cyano-phenyl]-3-(trifluoromethyl)benzamide
| Molecular Formula | C21H12ClF3N2OS |
|---|---|
| Molecular Weight | 432.03 g/mol |
| LogP | 6.63398 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.0311 |
| Heavy Atoms | 29 |
| Complexity | 1092.3157 |
Chemical Identifiers
| CAS Number | 303147-33-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=C(C=CC(=C2)C#N)SC3=CC=C(C=C3)Cl |
Product Overview
11K-538S (CAS 303147-33-3), with molecular formula C21H12ClF3N2OS and molecular weight 432.03 g/mol. IUPAC: N-[2-(4-chlorophenyl)sulfanyl-5-cyanophenyl]-3-(trifluoromethyl)benzamide.
Chemical Property Profile of 11K-538S
Property Insights of 11K-538S
The XLogP value of 6.63398 indicates that 11K-538S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 11K-538S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11K-538S has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11K-538S?
The CAS number of 11K-538S is 303147-33-3.
What is the molecular formula of 11K-538S?
The molecular formula of 11K-538S is C21H12ClF3N2OS.
What is the molecular weight of 11K-538S?
The molecular weight of 11K-538S is 432.03 g/mol.
Where can I buy 11K-538S?
You can request a quote for 11K-538S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11K-538S?
Yes, KEHONG BIO provides custom synthesis services for 11K-538S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.