N-(4-methyl-2-nitrophenyl)-3-oxobutanamide
TL;DR: N-(4-methyl-2-nitrophenyl)-3-oxobutanamide (CAS 34797-70-1) is a chemical compound with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methyl-2-nitrophenyl)-3-oxobutanamide
Also Known As: N-(4-methyl-2-nitrophenyl)-3-oxobutanamide, Acetoacet-4-methyl-2-nitroanilid, Butanamide, N-(4-methyl-2-nitrophenyl)-3-oxo-
| Molecular Formula | C11H12N2O4 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 1.82082 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.07971 |
| Heavy Atoms | 17 |
| Complexity | 482.3598 |
Chemical Identifiers
| CAS Number | 34797-70-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)CC(=O)C)[N+](=O)[O-] |
Product Overview
N-(4-methyl-2-nitrophenyl)-3-oxobutanamide (CAS 34797-70-1), with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol. IUPAC: N-(4-methyl-2-nitrophenyl)-3-oxobutanamide.
Chemical Property Profile of N-(4-methyl-2-nitrophenyl)-3-oxobutanamide
Property Insights of N-(4-methyl-2-nitrophenyl)-3-oxobutanamide
The XLogP value of 1.82082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-methyl-2-nitrophenyl)-3-oxobutanamide. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-methyl-2-nitrophenyl)-3-oxobutanamide. Following Lipinski's Rule of Five, N-(4-methyl-2-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-(4-methyl-2-nitrophenyl)-3-oxobutanamide?
The CAS number of N-(4-methyl-2-nitrophenyl)-3-oxobutanamide is 34797-70-1.
What is the molecular formula of N-(4-methyl-2-nitrophenyl)-3-oxobutanamide?
The molecular formula of N-(4-methyl-2-nitrophenyl)-3-oxobutanamide is C11H12N2O4.
What is the molecular weight of N-(4-methyl-2-nitrophenyl)-3-oxobutanamide?
The molecular weight of N-(4-methyl-2-nitrophenyl)-3-oxobutanamide is 236.08 g/mol.
Where can I buy N-(4-methyl-2-nitrophenyl)-3-oxobutanamide?
You can request a quote for N-(4-methyl-2-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-(4-methyl-2-nitrophenyl)-3-oxobutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methyl-2-nitrophenyl)-3-oxobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.