11K-576S
TL;DR: 11K-576S (CAS 303147-52-6) is a chemical compound with molecular formula C21H11Cl2F3N2OS and molecular weight 465.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-cyano-2-(2,6-dichlorophenyl)sulfanylphenyl]-3-(trifluoromethyl)benzamide
Also Known As: 11K-576S, N-{5-cyano-2-[(2,6-dichlorophenyl)sulfanyl]phenyl}-3-(trifluoromethyl)benzenecarboxamide, N-[5-cyano-2-(2,6-dichlorophenyl)sulfanylphenyl]-3-(trifluoromethyl)benzamide, N-(5-Cyano-2-((2,6-dichlorophenyl)thio)phenyl)-3-(trifluoromethyl)benzamide, N-[5-cyano-2-(2,6-dichlorophenyl)sulfanyl-phenyl]-3-(trifluoromethyl)benzamide
| Molecular Formula | C21H11Cl2F3N2OS |
|---|---|
| Molecular Weight | 465.99 g/mol |
| LogP | 7.28738 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 465.99213 |
| Heavy Atoms | 30 |
| Complexity | 1139.4689 |
Chemical Identifiers
| CAS Number | 303147-52-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=C(C=CC(=C2)C#N)SC3=C(C=CC=C3Cl)Cl |
Product Overview
11K-576S (CAS 303147-52-6), with molecular formula C21H11Cl2F3N2OS and molecular weight 465.99 g/mol. IUPAC: N-[5-cyano-2-(2,6-dichlorophenyl)sulfanylphenyl]-3-(trifluoromethyl)benzamide.
Chemical Property Profile of 11K-576S
Property Insights of 11K-576S
The XLogP value of 7.28738 indicates that 11K-576S 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-576S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11K-576S 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-576S?
The CAS number of 11K-576S is 303147-52-6.
What is the molecular formula of 11K-576S?
The molecular formula of 11K-576S is C21H11Cl2F3N2OS.
What is the molecular weight of 11K-576S?
The molecular weight of 11K-576S is 465.99 g/mol.
Where can I buy 11K-576S?
You can request a quote for 11K-576S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11K-576S?
Yes, KEHONG BIO provides custom synthesis services for 11K-576S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.