N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-nitrobenzamide
TL;DR: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-nitrobenzamide (CAS 540790-27-0) is a chemical compound with molecular formula C14H11N3O3S and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-nitrobenzamide
Also Known As: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-nitrobenzamide, F2590-0070, N-(3-cyano-4,5-dimethyl(2-thienyl))(2-nitrophenyl)carboxamide
| Molecular Formula | C14H11N3O3S |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 3.39712 |
| Topological Polar Surface Area | 96.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.05212 |
| Heavy Atoms | 21 |
| Complexity | 774.2568 |
Chemical Identifiers
| CAS Number | 540790-27-0 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2=CC=CC=C2[N+](=O)[O-])C |
Product Overview
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-nitrobenzamide (CAS 540790-27-0), with molecular formula C14H11N3O3S and molecular weight 301.05 g/mol. IUPAC: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-nitrobenzamide.
Chemical Property Profile of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-nitrobenzamide
Property Insights of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-nitrobenzamide
The XLogP value of 3.39712 indicates that N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.03 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-nitrobenzamide. Following Lipinski's Rule of Five, N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-nitrobenzamide has 1 hydrogen bond donor(s) and 5 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-4,5-dimethylthiophen-2-yl)-2-nitrobenzamide?
The CAS number of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-nitrobenzamide is 540790-27-0.
What is the molecular formula of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-nitrobenzamide?
The molecular formula of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-nitrobenzamide is C14H11N3O3S.
What is the molecular weight of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-nitrobenzamide?
The molecular weight of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-nitrobenzamide is 301.05 g/mol.
Where can I buy N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-nitrobenzamide?
You can request a quote for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-nitrobenzamide 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-4,5-dimethylthiophen-2-yl)-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.