11K-504S
TL;DR: 11K-504S (CAS 303147-03-7) is a chemical compound with molecular formula C22H15F3N2OS and molecular weight 412.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-cyano-2-(4-methylphenyl)sulfanylphenyl]-3-(trifluoromethyl)benzamide
Also Known As: 11K-504S, N-{5-cyano-2-[(4-methylphenyl)sulfanyl]phenyl}-3-(trifluoromethyl)benzenecarboxamide, N-{5-cyano-2-[(4-methylphenyl)sulfanyl]phenyl}-3-(trifluoromethyl)benzamide, N-[5-cyano-2-(4-methylphenyl)sulfanylphenyl]-3-(trifluoromethyl)benzamide, N-[5-Cyano-2-[(4-methylphenyl)thio]phenyl]-3-(trifluoromethyl)benzamide
| Molecular Formula | C22H15F3N2OS |
|---|---|
| Molecular Weight | 412.09 g/mol |
| LogP | 6.289 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.08572 |
| Heavy Atoms | 29 |
| Complexity | 1086.4469 |
Chemical Identifiers
| CAS Number | 303147-03-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C#N)NC(=O)C3=CC(=CC=C3)C(F)(F)F |
Product Overview
11K-504S (CAS 303147-03-7), with molecular formula C22H15F3N2OS and molecular weight 412.09 g/mol. IUPAC: N-[5-cyano-2-(4-methylphenyl)sulfanylphenyl]-3-(trifluoromethyl)benzamide.
Chemical Property Profile of 11K-504S
Property Insights of 11K-504S
The XLogP value of 6.289 indicates that 11K-504S 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-504S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11K-504S 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-504S?
The CAS number of 11K-504S is 303147-03-7.
What is the molecular formula of 11K-504S?
The molecular formula of 11K-504S is C22H15F3N2OS.
What is the molecular weight of 11K-504S?
The molecular weight of 11K-504S is 412.09 g/mol.
Where can I buy 11K-504S?
You can request a quote for 11K-504S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11K-504S?
Yes, KEHONG BIO provides custom synthesis services for 11K-504S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.