Methyl 3-(4-nitrophenyl)-2-oxopropanoate
TL;DR: Methyl 3-(4-nitrophenyl)-2-oxopropanoate (CAS 114306-03-5) is a chemical compound with molecular formula C10H9NO5 and molecular weight 223.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-nitrophenyl)-2-oxopropanoate
Also Known As: Methyl (p-nitrophenyl)pyruvate, methyl 3-(4-nitrophenyl)-2-oxopropanoate, NIOSH/UZ1007500, Pyruvic acid, (p-nitrophenyl)-, methyl ester
| Molecular Formula | C10H9NO5 |
|---|---|
| Molecular Weight | 223.05 g/mol |
| LogP | 0.8794 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.04807 |
| Heavy Atoms | 16 |
| Complexity | 423.34045 |
Chemical Identifiers
| CAS Number | 114306-03-5 |
|---|---|
| SMILES | COC(=O)C(=O)CC1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
Methyl 3-(4-nitrophenyl)-2-oxopropanoate (CAS 114306-03-5), with molecular formula C10H9NO5 and molecular weight 223.05 g/mol. IUPAC: methyl 3-(4-nitrophenyl)-2-oxopropanoate.
Chemical Property Profile of Methyl 3-(4-nitrophenyl)-2-oxopropanoate
Property Insights of Methyl 3-(4-nitrophenyl)-2-oxopropanoate
The XLogP value of 0.8794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(4-nitrophenyl)-2-oxopropanoate. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(4-nitrophenyl)-2-oxopropanoate. Following Lipinski's Rule of Five, Methyl 3-(4-nitrophenyl)-2-oxopropanoate 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 3-(4-nitrophenyl)-2-oxopropanoate?
The CAS number of Methyl 3-(4-nitrophenyl)-2-oxopropanoate is 114306-03-5.
What is the molecular formula of Methyl 3-(4-nitrophenyl)-2-oxopropanoate?
The molecular formula of Methyl 3-(4-nitrophenyl)-2-oxopropanoate is C10H9NO5.
What is the molecular weight of Methyl 3-(4-nitrophenyl)-2-oxopropanoate?
The molecular weight of Methyl 3-(4-nitrophenyl)-2-oxopropanoate is 223.05 g/mol.
Where can I buy Methyl 3-(4-nitrophenyl)-2-oxopropanoate?
You can request a quote for Methyl 3-(4-nitrophenyl)-2-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(4-nitrophenyl)-2-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-nitrophenyl)-2-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.