3-Cyano-2-fluoro-N-formylbenzamide
TL;DR: 3-Cyano-2-fluoro-N-formylbenzamide (CAS 647825-64-7) is a chemical compound with molecular formula C9H5FN2O2 and molecular weight 192.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyano-2-fluoro-N-formylbenzamide
Also Known As: 3-Cyano-2-fluoro-N-formylbenzamide, N-(3-cyano-2-fluorobenzoyl)formamide, 3-Cyano-2-fluoro-N-formylbenzamide #, Benzamide, 3-cyano-2-fluoro-N-formyl-, (3-cyano-2-fluorophenyl)-N-(oxomethyl)carboxamide
| Molecular Formula | C9H5FN2O2 |
|---|---|
| Molecular Weight | 192.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.03351 |
| Heavy Atoms | 14 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 647825-64-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)C(=O)NC=O)F)C#N |
| InChIKey | UJMOASKQMPKGKK-UHFFFAOYSA-N |
Product Overview
3-Cyano-2-fluoro-N-formylbenzamide (CAS 647825-64-7), with molecular formula C9H5FN2O2 and molecular weight 192.03 g/mol. IUPAC: 3-cyano-2-fluoro-N-formylbenzamide.
Chemical Property Profile of 3-Cyano-2-fluoro-N-formylbenzamide
Property Insights of 3-Cyano-2-fluoro-N-formylbenzamide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyano-2-fluoro-N-formylbenzamide. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cyano-2-fluoro-N-formylbenzamide. Following Lipinski's Rule of Five, 3-Cyano-2-fluoro-N-formylbenzamide 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 3-Cyano-2-fluoro-N-formylbenzamide?
The CAS number of 3-Cyano-2-fluoro-N-formylbenzamide is 647825-64-7.
What is the molecular formula of 3-Cyano-2-fluoro-N-formylbenzamide?
The molecular formula of 3-Cyano-2-fluoro-N-formylbenzamide is C9H5FN2O2.
What is the molecular weight of 3-Cyano-2-fluoro-N-formylbenzamide?
The molecular weight of 3-Cyano-2-fluoro-N-formylbenzamide is 192.03 g/mol.
Where can I buy 3-Cyano-2-fluoro-N-formylbenzamide?
You can request a quote for 3-Cyano-2-fluoro-N-formylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyano-2-fluoro-N-formylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyano-2-fluoro-N-formylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.