N-(2-Cyanoethyl)-3-oxobutyramide
TL;DR: N-(2-Cyanoethyl)-3-oxobutyramide (CAS 39795-76-1) is a chemical compound with molecular formula C7H10N2O2 and molecular weight 154.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyanoethyl)-3-oxobutanamide
Also Known As: N- -3-oxobutyramide, N-(2-Cyanoethyl)-3-oxobutyramide, N-(2-cyanoethyl)-3-oxobutanamide, EINECS 254-635-5, acetoacetic acid N-(2-cyanoethyl)amide
| Molecular Formula | C7H10N2O2 |
|---|---|
| Molecular Weight | 154.07 g/mol |
| LogP | -0.00462 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 154.07423 |
| Heavy Atoms | 11 |
| Complexity | 193.10748 |
Chemical Identifiers
| CAS Number | 39795-76-1 |
|---|---|
| SMILES | CC(=O)CC(=O)NCCC#N |
Product Overview
N-(2-Cyanoethyl)-3-oxobutyramide (CAS 39795-76-1), with molecular formula C7H10N2O2 and molecular weight 154.07 g/mol. IUPAC: N-(2-cyanoethyl)-3-oxobutanamide.
Chemical Property Profile of N-(2-Cyanoethyl)-3-oxobutyramide
Property Insights of N-(2-Cyanoethyl)-3-oxobutyramide
The XLogP value of -0.00462 indicates that N-(2-Cyanoethyl)-3-oxobutyramide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.96 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Cyanoethyl)-3-oxobutyramide. Following Lipinski's Rule of Five, N-(2-Cyanoethyl)-3-oxobutyramide 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-Cyanoethyl)-3-oxobutyramide?
The CAS number of N-(2-Cyanoethyl)-3-oxobutyramide is 39795-76-1.
What is the molecular formula of N-(2-Cyanoethyl)-3-oxobutyramide?
The molecular formula of N-(2-Cyanoethyl)-3-oxobutyramide is C7H10N2O2.
What is the molecular weight of N-(2-Cyanoethyl)-3-oxobutyramide?
The molecular weight of N-(2-Cyanoethyl)-3-oxobutyramide is 154.07 g/mol.
Where can I buy N-(2-Cyanoethyl)-3-oxobutyramide?
You can request a quote for N-(2-Cyanoethyl)-3-oxobutyramide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Cyanoethyl)-3-oxobutyramide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Cyanoethyl)-3-oxobutyramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.