N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-cyanoacetamide
TL;DR: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-cyanoacetamide (CAS 560072-41-5) is a chemical compound with molecular formula C16H19N3OS and molecular weight 301.12 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-cyanoacetamide
Also Known As: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-cyanoacetamide, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-cyanoacetamide, N-(6-(tert-Butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-cyanoacetamide, 2-cyano-N-(3-cyano-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-cyano-acetamide
| Molecular Formula | C16H19N3OS |
|---|---|
| Molecular Weight | 301.12 g/mol |
| LogP | 3.62296 |
| Topological Polar Surface Area | 76.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.12488 |
| Heavy Atoms | 21 |
| Complexity | 640.1952 |
Chemical Identifiers
| CAS Number | 560072-41-5 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CC#N |
Product Overview
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-cyanoacetamide (CAS 560072-41-5), with molecular formula C16H19N3OS and molecular weight 301.12 g/mol. IUPAC: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-cyanoacetamide.
Chemical Property Profile of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-cyanoacetamide
Property Insights of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-cyanoacetamide
The XLogP value of 3.62296 indicates that N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-cyanoacetamide 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 N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-cyanoacetamide. Following Lipinski's Rule of Five, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-cyanoacetamide 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 N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-cyanoacetamide?
The CAS number of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-cyanoacetamide is 560072-41-5.
What is the molecular formula of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-cyanoacetamide?
The molecular formula of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-cyanoacetamide is C16H19N3OS.
What is the molecular weight of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-cyanoacetamide?
The molecular weight of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-cyanoacetamide is 301.12 g/mol.
Where can I buy N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-cyanoacetamide?
You can request a quote for N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-cyanoacetamide 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-benzothien-2-yl)-2-cyanoacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-cyanoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.