N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(trifluoromethyl)benzamide
TL;DR: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(trifluoromethyl)benzamide (CAS 392238-67-4) is a chemical compound with molecular formula C17H13F3N2OS and molecular weight 350.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(trifluoromethyl)benzamide
Also Known As: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(trifluoromethyl)benzamide, F0317-0282, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(trifluoromethyl)benzamide
| Molecular Formula | C17H13F3N2OS |
|---|---|
| Molecular Weight | 350.07 g/mol |
| LogP | 4.76968 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.07007 |
| Heavy Atoms | 24 |
| Complexity | 833.3368 |
Chemical Identifiers
| CAS Number | 392238-67-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CC=C3)C(F)(F)F)C#N |
Product Overview
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(trifluoromethyl)benzamide (CAS 392238-67-4), with molecular formula C17H13F3N2OS and molecular weight 350.07 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(trifluoromethyl)benzamide.
Chemical Property Profile of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(trifluoromethyl)benzamide
Property Insights of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(trifluoromethyl)benzamide
The XLogP value of 4.76968 indicates that N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(trifluoromethyl)benzamide 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-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(trifluoromethyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(trifluoromethyl)benzamide 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-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(trifluoromethyl)benzamide?
The CAS number of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(trifluoromethyl)benzamide is 392238-67-4.
What is the molecular formula of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(trifluoromethyl)benzamide?
The molecular formula of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(trifluoromethyl)benzamide is C17H13F3N2OS.
What is the molecular weight of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(trifluoromethyl)benzamide?
The molecular weight of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(trifluoromethyl)benzamide is 350.07 g/mol.
Where can I buy N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(trifluoromethyl)benzamide?
You can request a quote for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(trifluoromethyl)benzamide 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-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(trifluoromethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(trifluoromethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.