N-(2-cyanophenyl)-3-oxobutanamide
TL;DR: N-(2-cyanophenyl)-3-oxobutanamide (CAS 81761-29-7) 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-(2-cyanophenyl)-3-oxobutanamide
Also Known As: N-(2-cyanophenyl)-3-oxobutanamide, Butanamide, N-(2-cyanophenyl)-3-oxo, N-(2-cyano-phenyl)-3-oxo-butanamide, J3.390.072D, AB01324127-02
| Molecular Formula | C11H10N2O2 |
|---|---|
| Molecular Weight | 202.07 g/mol |
| LogP | 1.47588 |
| 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 | 81761-29-7 |
|---|---|
| SMILES | CC(=O)CC(=O)NC1=CC=CC=C1C#N |
Product Overview
N-(2-cyanophenyl)-3-oxobutanamide (CAS 81761-29-7), with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol. IUPAC: N-(2-cyanophenyl)-3-oxobutanamide.
Chemical Property Profile of N-(2-cyanophenyl)-3-oxobutanamide
Property Insights of N-(2-cyanophenyl)-3-oxobutanamide
The XLogP value of 1.47588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-cyanophenyl)-3-oxobutanamide. The TPSA of 69.96 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-cyanophenyl)-3-oxobutanamide. Following Lipinski's Rule of Five, N-(2-cyanophenyl)-3-oxobutanamide 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-(2-cyanophenyl)-3-oxobutanamide?
The CAS number of N-(2-cyanophenyl)-3-oxobutanamide is 81761-29-7.
What is the molecular formula of N-(2-cyanophenyl)-3-oxobutanamide?
The molecular formula of N-(2-cyanophenyl)-3-oxobutanamide is C11H10N2O2.
What is the molecular weight of N-(2-cyanophenyl)-3-oxobutanamide?
The molecular weight of N-(2-cyanophenyl)-3-oxobutanamide is 202.07 g/mol.
Where can I buy N-(2-cyanophenyl)-3-oxobutanamide?
You can request a quote for N-(2-cyanophenyl)-3-oxobutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-cyanophenyl)-3-oxobutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-cyanophenyl)-3-oxobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.