Methyl 4-(2-nitrophenyl)-2,4-dioxobutanoate
TL;DR: Methyl 4-(2-nitrophenyl)-2,4-dioxobutanoate (CAS 57446-03-4) is a chemical compound with molecular formula C11H9NO6 and molecular weight 251.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-nitrophenyl)-2,4-dioxobutanoate
Also Known As: methyl 4-(2-nitrophenyl)-2,4-dioxobutanoate, 4-(2-NITRO-PHENYL)-2,4-DIOXO-BUTYRIC ACID METHYL ESTER, Methyl 2-nitro-a,g-dioxo-benzenebutanoate, Methyl 2,4-dioxo-4-(2-nitrophenyl)butanoate, Methyl 4-(2-nitrophenyl)-2,4-dioxo-butanoate
| Molecular Formula | C11H9NO6 |
|---|---|
| Molecular Weight | 251.04 g/mol |
| LogP | 0.9097 |
| Topological Polar Surface Area | 103.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.04298 |
| Heavy Atoms | 18 |
| Complexity | 522.01965 |
Chemical Identifiers
| CAS Number | 57446-03-4 |
|---|---|
| SMILES | COC(=O)C(=O)CC(=O)C1=CC=CC=C1[N+](=O)[O-] |
Product Overview
Methyl 4-(2-nitrophenyl)-2,4-dioxobutanoate (CAS 57446-03-4), with molecular formula C11H9NO6 and molecular weight 251.04 g/mol. IUPAC: methyl 4-(2-nitrophenyl)-2,4-dioxobutanoate.
Chemical Property Profile of Methyl 4-(2-nitrophenyl)-2,4-dioxobutanoate
Property Insights of Methyl 4-(2-nitrophenyl)-2,4-dioxobutanoate
The XLogP value of 0.9097 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(2-nitrophenyl)-2,4-dioxobutanoate. The TPSA of 103.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(2-nitrophenyl)-2,4-dioxobutanoate. Following Lipinski's Rule of Five, Methyl 4-(2-nitrophenyl)-2,4-dioxobutanoate has 0 hydrogen bond donor(s) and 6 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 Methyl 4-(2-nitrophenyl)-2,4-dioxobutanoate?
The CAS number of Methyl 4-(2-nitrophenyl)-2,4-dioxobutanoate is 57446-03-4.
What is the molecular formula of Methyl 4-(2-nitrophenyl)-2,4-dioxobutanoate?
The molecular formula of Methyl 4-(2-nitrophenyl)-2,4-dioxobutanoate is C11H9NO6.
What is the molecular weight of Methyl 4-(2-nitrophenyl)-2,4-dioxobutanoate?
The molecular weight of Methyl 4-(2-nitrophenyl)-2,4-dioxobutanoate is 251.04 g/mol.
Where can I buy Methyl 4-(2-nitrophenyl)-2,4-dioxobutanoate?
You can request a quote for Methyl 4-(2-nitrophenyl)-2,4-dioxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(2-nitrophenyl)-2,4-dioxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2-nitrophenyl)-2,4-dioxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.