![2-(4-cyanobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide structure](/static/products/4774/477494-19-2.webp)
2-(4-cyanobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
TL;DR: 2-(4-cyanobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide (CAS 477494-19-2) is a chemical compound with molecular formula C18H17N3O2S and molecular weight 339.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-cyanobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: AB00685217-01, 2-(4-cyanobenzamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide, F0806-0381, 2-(4-cyanobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, 2-[(4-cyanobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
| Molecular Formula | C18H17N3O2S |
|---|---|
| Molecular Weight | 339.10 g/mol |
| LogP | 3.23988 |
| Topological Polar Surface Area | 95.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.10416 |
| Heavy Atoms | 24 |
| Complexity | 831.18414 |
Chemical Identifiers
| CAS Number | 477494-19-2 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)C#N |
Product Overview
2-(4-cyanobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide (CAS 477494-19-2), with molecular formula C18H17N3O2S and molecular weight 339.10 g/mol. IUPAC: 2-[(4-cyanobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of 2-(4-cyanobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Property Insights of 2-(4-cyanobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
The XLogP value of 3.23988 indicates that 2-(4-cyanobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-cyanobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide. Following Lipinski's Rule of Five, 2-(4-cyanobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide has 2 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 2-(4-cyanobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The CAS number of 2-(4-cyanobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is 477494-19-2.
What is the molecular formula of 2-(4-cyanobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The molecular formula of 2-(4-cyanobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is C18H17N3O2S.
What is the molecular weight of 2-(4-cyanobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The molecular weight of 2-(4-cyanobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is 339.10 g/mol.
Where can I buy 2-(4-cyanobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
You can request a quote for 2-(4-cyanobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-cyanobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-cyanobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.