![Methyl 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoate structure](/static/products/5937/59372-48-4.webp)
Methyl 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoate
TL;DR: Methyl 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoate (CAS 59372-48-4) is a chemical compound with molecular formula C13H15NO5 and molecular weight 265.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoate
Also Known As: methyl 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoate, Benzenebutanoic acid,a-acetyl-2-nitro-,methyl ester, Benzenebutanoic acid, a-acetyl-2-nitro-, methyl ester, METHYL 2-[2-(2-NITROPHENYL)ETHYL]-3-OXO-BUTANOATE
| Molecular Formula | C13H15NO5 |
|---|---|
| Molecular Weight | 265.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 265.09503 |
| Heavy Atoms | 19 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 59372-48-4 |
|---|---|
| SMILES | CC(=O)C(CCC1=CC=CC=C1[N+](=O)[O-])C(=O)OC |
| InChIKey | IPZPRFPPFMZPCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoate (CAS 59372-48-4), with molecular formula C13H15NO5 and molecular weight 265.10 g/mol. IUPAC: methyl 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoate.
Chemical Property Profile of Methyl 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoate
Property Insights of Methyl 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoate. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoate. Following Lipinski's Rule of Five, Methyl 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoate has 0 hydrogen bond donor(s) and 5 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 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoate?
The CAS number of Methyl 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoate is 59372-48-4.
What is the molecular formula of Methyl 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoate?
The molecular formula of Methyl 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoate is C13H15NO5.
What is the molecular weight of Methyl 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoate?
The molecular weight of Methyl 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoate is 265.10 g/mol.
Where can I buy Methyl 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoate?
You can request a quote for Methyl 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.