![N-[3-cyano-4-(methylsulfanyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide structure](/static/products/3069/306980-85-8.webp)
N-[3-cyano-4-(methylsulfanyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide
TL;DR: N-[3-cyano-4-(methylsulfanyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide (CAS 306980-85-8) is a chemical compound with molecular formula C16H11F3N2OS and molecular weight 336.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide
Also Known As: 12K-581S, N-[3-cyano-4-(methylsulfanyl)phenyl]-3-(trifluoromethyl)benzamide, N-[3-cyano-4-(methylsulfanyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide, N-(3-cyano-4-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide, N-(3-Cyano-4-(methylsulfanyl)phenyl)-3-(trifluoromethyl)benzenecarboxamide
| Molecular Formula | C16H11F3N2OS |
|---|---|
| Molecular Weight | 336.05 g/mol |
| LogP | 4.55128 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.0544 |
| Heavy Atoms | 23 |
| Complexity | 781.6253 |
Chemical Identifiers
| CAS Number | 306980-85-8 |
|---|---|
| SMILES | CSC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C#N |
Product Overview
N-[3-cyano-4-(methylsulfanyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide (CAS 306980-85-8), with molecular formula C16H11F3N2OS and molecular weight 336.05 g/mol. IUPAC: N-(3-cyano-4-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide.
Chemical Property Profile of N-[3-cyano-4-(methylsulfanyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide
Property Insights of N-[3-cyano-4-(methylsulfanyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide
The XLogP value of 4.55128 indicates that N-[3-cyano-4-(methylsulfanyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, N-[3-cyano-4-(methylsulfanyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[3-cyano-4-(methylsulfanyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[3-cyano-4-(methylsulfanyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide?
The CAS number of N-[3-cyano-4-(methylsulfanyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide is 306980-85-8.
What is the molecular formula of N-[3-cyano-4-(methylsulfanyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide?
The molecular formula of N-[3-cyano-4-(methylsulfanyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide is C16H11F3N2OS.
What is the molecular weight of N-[3-cyano-4-(methylsulfanyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide?
The molecular weight of N-[3-cyano-4-(methylsulfanyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide is 336.05 g/mol.
Where can I buy N-[3-cyano-4-(methylsulfanyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide?
You can request a quote for N-[3-cyano-4-(methylsulfanyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-cyano-4-(methylsulfanyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-cyano-4-(methylsulfanyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.