N-(3-cyanothiophen-2-yl)-4-nitrobenzamide
TL;DR: N-(3-cyanothiophen-2-yl)-4-nitrobenzamide (CAS 865545-73-9) is a chemical compound with molecular formula C12H7N3O3S and molecular weight 273.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyanothiophen-2-yl)-4-nitrobenzamide
Also Known As: N-(3-cyanothiophen-2-yl)-4-nitrobenzamide, F1385-0008
| Molecular Formula | C12H7N3O3S |
|---|---|
| Molecular Weight | 273.02 g/mol |
| LogP | 2.78028 |
| Topological Polar Surface Area | 96.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.0208 |
| Heavy Atoms | 19 |
| Complexity | 670.2732 |
Chemical Identifiers
| CAS Number | 865545-73-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC2=C(C=CS2)C#N)[N+](=O)[O-] |
Product Overview
N-(3-cyanothiophen-2-yl)-4-nitrobenzamide (CAS 865545-73-9), with molecular formula C12H7N3O3S and molecular weight 273.02 g/mol. IUPAC: N-(3-cyanothiophen-2-yl)-4-nitrobenzamide.
Chemical Property Profile of N-(3-cyanothiophen-2-yl)-4-nitrobenzamide
Property Insights of N-(3-cyanothiophen-2-yl)-4-nitrobenzamide
The XLogP value of 2.78028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-cyanothiophen-2-yl)-4-nitrobenzamide. The TPSA of 96.03 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyanothiophen-2-yl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(3-cyanothiophen-2-yl)-4-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-cyanothiophen-2-yl)-4-nitrobenzamide?
The CAS number of N-(3-cyanothiophen-2-yl)-4-nitrobenzamide is 865545-73-9.
What is the molecular formula of N-(3-cyanothiophen-2-yl)-4-nitrobenzamide?
The molecular formula of N-(3-cyanothiophen-2-yl)-4-nitrobenzamide is C12H7N3O3S.
What is the molecular weight of N-(3-cyanothiophen-2-yl)-4-nitrobenzamide?
The molecular weight of N-(3-cyanothiophen-2-yl)-4-nitrobenzamide is 273.02 g/mol.
Where can I buy N-(3-cyanothiophen-2-yl)-4-nitrobenzamide?
You can request a quote for N-(3-cyanothiophen-2-yl)-4-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-cyanothiophen-2-yl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyanothiophen-2-yl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.