12K-540S
TL;DR: 12K-540S (CAS 306980-65-4) is a chemical compound with molecular formula C21H12ClF3N2O3S and molecular weight 464.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(4-chlorophenyl)sulfonyl-3-cyanophenyl]-3-(trifluoromethyl)benzamide
Also Known As: 12K-540S, N-[4-(4-chlorobenzenesulfonyl)-3-cyanophenyl]-3-(trifluoromethyl)benzamide, N-{4-[(4-chlorophenyl)sulfonyl]-3-cyanophenyl}-3-(trifluoromethyl)benzenecarboxamide, N-[4-(4-chlorophenyl)sulfonyl-3-cyanophenyl]-3-(trifluoromethyl)benzamide, N-[4-(4-chlorophenyl)sulfonyl-3-cyano-phenyl]-3-(trifluoromethyl)benzamide
| Molecular Formula | C21H12ClF3N2O3S |
|---|---|
| Molecular Weight | 464.02 g/mol |
| LogP | 5.31558 |
| Topological Polar Surface Area | 87.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.02094 |
| Heavy Atoms | 31 |
| Complexity | 1298.6807 |
Chemical Identifiers
| CAS Number | 306980-65-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=CC(=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)Cl)C#N |
Product Overview
12K-540S (CAS 306980-65-4), with molecular formula C21H12ClF3N2O3S and molecular weight 464.02 g/mol. IUPAC: N-[4-(4-chlorophenyl)sulfonyl-3-cyanophenyl]-3-(trifluoromethyl)benzamide.
Chemical Property Profile of 12K-540S
Property Insights of 12K-540S
The XLogP value of 5.31558 indicates that 12K-540S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 12K-540S. Following Lipinski's Rule of Five, 12K-540S has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12K-540S?
The CAS number of 12K-540S is 306980-65-4.
What is the molecular formula of 12K-540S?
The molecular formula of 12K-540S is C21H12ClF3N2O3S.
What is the molecular weight of 12K-540S?
The molecular weight of 12K-540S is 464.02 g/mol.
Where can I buy 12K-540S?
You can request a quote for 12K-540S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12K-540S?
Yes, KEHONG BIO provides custom synthesis services for 12K-540S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.