N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-4,5-difluorobenzamide
TL;DR: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-4,5-difluorobenzamide (CAS 354996-84-2) is a chemical compound with molecular formula C20H19ClF2N2OS and molecular weight 408.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-4,5-difluorobenzamide
Also Known As: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-4,5-difluorobenzamide, N-[6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloro-4,5-difluorobenzamide
| Molecular Formula | C20H19ClF2N2OS |
|---|---|
| Molecular Weight | 408.09 g/mol |
| LogP | 5.95468 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 408.08746 |
| Heavy Atoms | 27 |
| Complexity | 956.3572 |
Chemical Identifiers
| CAS Number | 354996-84-2 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=C(C=C3Cl)F)F |
Product Overview
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-4,5-difluorobenzamide (CAS 354996-84-2), with molecular formula C20H19ClF2N2OS and molecular weight 408.09 g/mol. IUPAC: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-4,5-difluorobenzamide.
Chemical Property Profile of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-4,5-difluorobenzamide
Property Insights of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-4,5-difluorobenzamide
The XLogP value of 5.95468 indicates that N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-4,5-difluorobenzamide 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-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-4,5-difluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-4,5-difluorobenzamide 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 N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-4,5-difluorobenzamide?
The CAS number of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-4,5-difluorobenzamide is 354996-84-2.
What is the molecular formula of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-4,5-difluorobenzamide?
The molecular formula of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-4,5-difluorobenzamide is C20H19ClF2N2OS.
What is the molecular weight of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-4,5-difluorobenzamide?
The molecular weight of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-4,5-difluorobenzamide is 408.09 g/mol.
Where can I buy N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-4,5-difluorobenzamide?
You can request a quote for N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-4,5-difluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-4,5-difluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-4,5-difluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.