4-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
TL;DR: 4-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide (CAS 313262-38-3) is a chemical compound with molecular formula C17H13N3OS and molecular weight 307.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
Also Known As: 4-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide, F0016-0369, 4-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzamide, N-(3-cyano-1-thia-4,5,6,7-tetrahydro-2-indenyl)p-cyanobenzamide
| Molecular Formula | C17H13N3OS |
|---|---|
| Molecular Weight | 307.08 g/mol |
| LogP | 3.62256 |
| Topological Polar Surface Area | 76.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.07794 |
| Heavy Atoms | 22 |
| Complexity | 806.1552 |
Chemical Identifiers
| CAS Number | 313262-38-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)C#N)C#N |
Product Overview
4-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide (CAS 313262-38-3), with molecular formula C17H13N3OS and molecular weight 307.08 g/mol. IUPAC: 4-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide.
Chemical Property Profile of 4-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
Property Insights of 4-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
The XLogP value of 3.62256 indicates that 4-cyano-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 76.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide. Following Lipinski's Rule of Five, 4-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide has 1 hydrogen bond donor(s) and 4 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 4-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide?
The CAS number of 4-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide is 313262-38-3.
What is the molecular formula of 4-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide?
The molecular formula of 4-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide is C17H13N3OS.
What is the molecular weight of 4-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide?
The molecular weight of 4-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide is 307.08 g/mol.
Where can I buy 4-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide?
You can request a quote for 4-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-cyano-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.