2-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-difluorobenzamide
TL;DR: 2-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-difluorobenzamide (CAS 438463-96-8) is a chemical compound with molecular formula C17H13ClF2N2OS and molecular weight 366.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-difluorobenzamide
Also Known As: 2-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-difluorobenzamide, 2-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-4,5-difluorobenzamide
| Molecular Formula | C17H13ClF2N2OS |
|---|---|
| Molecular Weight | 366.04 g/mol |
| LogP | 4.92848 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.04053 |
| Heavy Atoms | 24 |
| Complexity | 872.4511 |
Chemical Identifiers
| CAS Number | 438463-96-8 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=C(C=C3Cl)F)F |
Product Overview
2-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-difluorobenzamide (CAS 438463-96-8), with molecular formula C17H13ClF2N2OS and molecular weight 366.04 g/mol. IUPAC: 2-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-difluorobenzamide.
Chemical Property Profile of 2-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-difluorobenzamide
Property Insights of 2-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-difluorobenzamide
The XLogP value of 4.92848 indicates that 2-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-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, 2-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-difluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-difluorobenzamide 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 2-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-difluorobenzamide?
The CAS number of 2-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-difluorobenzamide is 438463-96-8.
What is the molecular formula of 2-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-difluorobenzamide?
The molecular formula of 2-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-difluorobenzamide is C17H13ClF2N2OS.
What is the molecular weight of 2-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-difluorobenzamide?
The molecular weight of 2-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-difluorobenzamide is 366.04 g/mol.
Where can I buy 2-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-difluorobenzamide?
You can request a quote for 2-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-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 2-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-difluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-difluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.