N-(3-nitrophenyl)-3-oxobutanamide
TL;DR: N-(3-nitrophenyl)-3-oxobutanamide (CAS 25233-49-2) is a chemical compound with molecular formula C10H10N2O4 and molecular weight 222.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-nitrophenyl)-3-oxobutanamide
Also Known As: N-(3-nitrophenyl)-3-oxobutanamide, Acetoacet-m-nitroanilide, P-QUATERPHENYL, m-nitro-acetylacetanilide, N-(3-Nitro-phenyl)-3-oxo-butyramide
| Molecular Formula | C10H10N2O4 |
|---|---|
| Molecular Weight | 222.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.06406 |
| Heavy Atoms | 16 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 25233-49-2 |
|---|---|
| SMILES | CC(=O)CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | KQAQKCOLRNMYFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3-nitrophenyl)-3-oxobutanamide (CAS 25233-49-2), with molecular formula C10H10N2O4 and molecular weight 222.06 g/mol. IUPAC: N-(3-nitrophenyl)-3-oxobutanamide.
Chemical Property Profile of N-(3-nitrophenyl)-3-oxobutanamide
Property Insights of N-(3-nitrophenyl)-3-oxobutanamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-nitrophenyl)-3-oxobutanamide. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-nitrophenyl)-3-oxobutanamide. Following Lipinski's Rule of Five, N-(3-nitrophenyl)-3-oxobutanamide 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 N-(3-nitrophenyl)-3-oxobutanamide?
The CAS number of N-(3-nitrophenyl)-3-oxobutanamide is 25233-49-2.
What is the molecular formula of N-(3-nitrophenyl)-3-oxobutanamide?
The molecular formula of N-(3-nitrophenyl)-3-oxobutanamide is C10H10N2O4.
What is the molecular weight of N-(3-nitrophenyl)-3-oxobutanamide?
The molecular weight of N-(3-nitrophenyl)-3-oxobutanamide is 222.06 g/mol.
Where can I buy N-(3-nitrophenyl)-3-oxobutanamide?
You can request a quote for N-(3-nitrophenyl)-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-(3-nitrophenyl)-3-oxobutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-nitrophenyl)-3-oxobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.