2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
TL;DR: 2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide (CAS 142994-49-8) is a chemical compound with molecular formula C16H13ClN2OS and molecular weight 316.0437 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
Also Known As: BAS 00451787, 2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide, 2-Chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)benzamide #, 2-Chloro-N-(3-cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-benzamide, 2-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzamide
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H13ClN2OS |
| Molecular Weight | 316.0437 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.0437 Da |
| Heavy Atoms | 21 |
| Complexity | 449.0 |
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3Cl)C#N |
| InChIKey | ANNJZKXOXGLQMD-UHFFFAOYSA-N |
Chemical Property Profile of 2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
Property Insights of 2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
The XLogP value of 4.9 indicates that 2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide. Following Lipinski's Rule of Five, 2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)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
What is the CAS number of 2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide?
The CAS number of 2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide is 142994-49-8.
What is the molecular formula of 2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide?
The molecular formula of 2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide is C16H13ClN2OS.
What is the molecular weight of 2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide?
The molecular weight of 2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide is 316.0437 g/mol.
Where can I buy 2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide?
You can request a quote for 2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide?
Yes, CoreyChem provides custom synthesis services for 2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.