N-(3-Cyano-2-thienyl)benzamide
TL;DR: N-(3-Cyano-2-thienyl)benzamide (CAS 55654-17-6) is a chemical compound with molecular formula C12H8N2OS and molecular weight 228.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyanothiophen-2-yl)benzamide
Also Known As: N-(3-cyanothiophen-2-yl)benzamide, N-(3-Cyano-2-thienyl)benzamide, IFLab1_005616, Benzamide, N-(3-cyano-2-thienyl)-, N-(3-cyano(2-thienyl))benzamide
| Molecular Formula | C12H8N2OS |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.03574 |
| Heavy Atoms | 16 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 55654-17-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=C(C=CS2)C#N |
| InChIKey | UYXFBYOJMQUYNV-UHFFFAOYSA-N |
Product Overview
N-(3-Cyano-2-thienyl)benzamide (CAS 55654-17-6), with molecular formula C12H8N2OS and molecular weight 228.04 g/mol. IUPAC: N-(3-cyanothiophen-2-yl)benzamide.
Chemical Property Profile of N-(3-Cyano-2-thienyl)benzamide
Property Insights of N-(3-Cyano-2-thienyl)benzamide
The XLogP value of 3.0 indicates that N-(3-Cyano-2-thienyl)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 N-(3-Cyano-2-thienyl)benzamide. Following Lipinski's Rule of Five, N-(3-Cyano-2-thienyl)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
Frequently Asked Questions
What is the CAS number of N-(3-Cyano-2-thienyl)benzamide?
The CAS number of N-(3-Cyano-2-thienyl)benzamide is 55654-17-6.
What is the molecular formula of N-(3-Cyano-2-thienyl)benzamide?
The molecular formula of N-(3-Cyano-2-thienyl)benzamide is C12H8N2OS.
What is the molecular weight of N-(3-Cyano-2-thienyl)benzamide?
The molecular weight of N-(3-Cyano-2-thienyl)benzamide is 228.04 g/mol.
Where can I buy N-(3-Cyano-2-thienyl)benzamide?
You can request a quote for N-(3-Cyano-2-thienyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Cyano-2-thienyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Cyano-2-thienyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.