N-(3-acetylphenyl)-2-cyanoacetamide
TL;DR: N-(3-acetylphenyl)-2-cyanoacetamide (CAS 540532-62-5) is a chemical compound with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-acetylphenyl)-2-cyanoacetamide
Also Known As: N-(3-acetylphenyl)-2-cyanoacetamide, N-(3-acetylphenyl)-2-cyano-acetamide, 1-(5-Carboxypentyl)-2-{(E)-2-[7-(diethylamino)-2-hydroxy-4-oxo-4H -chromen-3-yl]vinyl}-3,3-dimethyl-3H-indolium-5-sulfonate
| Molecular Formula | C11H10N2O2 |
|---|---|
| Molecular Weight | 202.07 g/mol |
| LogP | 1.74138 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.07423 |
| Heavy Atoms | 15 |
| Complexity | 432.45923 |
Chemical Identifiers
| CAS Number | 540532-62-5 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)NC(=O)CC#N |
Product Overview
N-(3-acetylphenyl)-2-cyanoacetamide (CAS 540532-62-5), with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol. IUPAC: N-(3-acetylphenyl)-2-cyanoacetamide.
Chemical Property Profile of N-(3-acetylphenyl)-2-cyanoacetamide
Property Insights of N-(3-acetylphenyl)-2-cyanoacetamide
The XLogP value of 1.74138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-acetylphenyl)-2-cyanoacetamide. The TPSA of 69.96 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-acetylphenyl)-2-cyanoacetamide. Following Lipinski's Rule of Five, N-(3-acetylphenyl)-2-cyanoacetamide 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-acetylphenyl)-2-cyanoacetamide?
The CAS number of N-(3-acetylphenyl)-2-cyanoacetamide is 540532-62-5.
What is the molecular formula of N-(3-acetylphenyl)-2-cyanoacetamide?
The molecular formula of N-(3-acetylphenyl)-2-cyanoacetamide is C11H10N2O2.
What is the molecular weight of N-(3-acetylphenyl)-2-cyanoacetamide?
The molecular weight of N-(3-acetylphenyl)-2-cyanoacetamide is 202.07 g/mol.
Where can I buy N-(3-acetylphenyl)-2-cyanoacetamide?
You can request a quote for N-(3-acetylphenyl)-2-cyanoacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-acetylphenyl)-2-cyanoacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-acetylphenyl)-2-cyanoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.