N-(2-ethylphenyl)-3-oxobutanamide
TL;DR: N-(2-ethylphenyl)-3-oxobutanamide (CAS 91640-36-7) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-ethylphenyl)-3-oxobutanamide
Also Known As: N-(2-Ethylphenyl)-3-oxobutanamide, 2'-Ethylacetoacetanilide, N-(2-Ethylphenyl)acetoacetamide, N-(2-ethylphenyl)-3-oxo-butanamide, Butanamide, N-(2-ethylphenyl)-3-oxo
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 91640-36-7 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=O)CC(=O)C |
| InChIKey | BSGZZIRKDQLKBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-ethylphenyl)-3-oxobutanamide (CAS 91640-36-7), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: N-(2-ethylphenyl)-3-oxobutanamide.
Chemical Property Profile of N-(2-ethylphenyl)-3-oxobutanamide
Property Insights of N-(2-ethylphenyl)-3-oxobutanamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-ethylphenyl)-3-oxobutanamide. With a topological polar surface area (TPSA) of 46.2 Ų, N-(2-ethylphenyl)-3-oxobutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-ethylphenyl)-3-oxobutanamide has 1 hydrogen bond donor(s) and 2 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-ethylphenyl)-3-oxobutanamide?
The CAS number of N-(2-ethylphenyl)-3-oxobutanamide is 91640-36-7.
What is the molecular formula of N-(2-ethylphenyl)-3-oxobutanamide?
The molecular formula of N-(2-ethylphenyl)-3-oxobutanamide is C12H15NO2.
What is the molecular weight of N-(2-ethylphenyl)-3-oxobutanamide?
The molecular weight of N-(2-ethylphenyl)-3-oxobutanamide is 205.11 g/mol.
Where can I buy N-(2-ethylphenyl)-3-oxobutanamide?
You can request a quote for N-(2-ethylphenyl)-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-ethylphenyl)-3-oxobutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-ethylphenyl)-3-oxobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.