12K-519S
TL;DR: 12K-519S (CAS 306980-45-0) 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-[3-cyano-4-(4-methylphenyl)sulfanylphenyl]-3-(trifluoromethyl)benzamide
Also Known As: 12K-519S, N-{3-cyano-4-[(4-methylphenyl)sulfanyl]phenyl}-3-(trifluoromethyl)benzamide, N-{3-cyano-4-[(4-methylphenyl)sulfanyl]phenyl}-3-(trifluoromethyl)benzenecarboxamide, N-[3-cyano-4-(4-methylphenyl)sulfanylphenyl]-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 | 306980-45-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)C(F)(F)F)C#N |
Product Overview
12K-519S (CAS 306980-45-0), with molecular formula C22H15F3N2OS and molecular weight 412.09 g/mol. IUPAC: N-[3-cyano-4-(4-methylphenyl)sulfanylphenyl]-3-(trifluoromethyl)benzamide.
Chemical Property Profile of 12K-519S
Property Insights of 12K-519S
The XLogP value of 6.289 indicates that 12K-519S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 12K-519S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12K-519S 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 12K-519S?
The CAS number of 12K-519S is 306980-45-0.
What is the molecular formula of 12K-519S?
The molecular formula of 12K-519S is C22H15F3N2OS.
What is the molecular weight of 12K-519S?
The molecular weight of 12K-519S is 412.09 g/mol.
Where can I buy 12K-519S?
You can request a quote for 12K-519S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12K-519S?
Yes, KEHONG BIO provides custom synthesis services for 12K-519S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.