3-(5-Methoxy-4-methyl-2-nitrophenyl)-2-oxopropanoic acid
TL;DR: 3-(5-Methoxy-4-methyl-2-nitrophenyl)-2-oxopropanoic acid (CAS 3139-07-9) is a chemical compound with molecular formula C11H11NO6 and molecular weight 253.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-methoxy-4-methyl-2-nitrophenyl)-2-oxopropanoic acid
Also Known As: 3-(5-methoxy-4-methyl-2-nitrophenyl)-2-oxopropanoic acid, 3-(5-methoxy-4-methyl-2-nitro-phenyl)-2-oxo-propanoic acid, Benzenepropanoic acid, 5-methoxy-4-methyl-2-nitro-alpha-oxo-
| Molecular Formula | C11H11NO6 |
|---|---|
| Molecular Weight | 253.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.05864 |
| Heavy Atoms | 18 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 3139-07-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1OC)CC(=O)C(=O)O)[N+](=O)[O-] |
| InChIKey | JXQUSCDBXIFOKR-UHFFFAOYSA-N |
Product Overview
3-(5-Methoxy-4-methyl-2-nitrophenyl)-2-oxopropanoic acid (CAS 3139-07-9), with molecular formula C11H11NO6 and molecular weight 253.06 g/mol. IUPAC: 3-(5-methoxy-4-methyl-2-nitrophenyl)-2-oxopropanoic acid.
Chemical Property Profile of 3-(5-Methoxy-4-methyl-2-nitrophenyl)-2-oxopropanoic acid
Property Insights of 3-(5-Methoxy-4-methyl-2-nitrophenyl)-2-oxopropanoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Methoxy-4-methyl-2-nitrophenyl)-2-oxopropanoic acid. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Methoxy-4-methyl-2-nitrophenyl)-2-oxopropanoic acid. Following Lipinski's Rule of Five, 3-(5-Methoxy-4-methyl-2-nitrophenyl)-2-oxopropanoic acid has 1 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 3-(5-Methoxy-4-methyl-2-nitrophenyl)-2-oxopropanoic acid?
The CAS number of 3-(5-Methoxy-4-methyl-2-nitrophenyl)-2-oxopropanoic acid is 3139-07-9.
What is the molecular formula of 3-(5-Methoxy-4-methyl-2-nitrophenyl)-2-oxopropanoic acid?
The molecular formula of 3-(5-Methoxy-4-methyl-2-nitrophenyl)-2-oxopropanoic acid is C11H11NO6.
What is the molecular weight of 3-(5-Methoxy-4-methyl-2-nitrophenyl)-2-oxopropanoic acid?
The molecular weight of 3-(5-Methoxy-4-methyl-2-nitrophenyl)-2-oxopropanoic acid is 253.06 g/mol.
Where can I buy 3-(5-Methoxy-4-methyl-2-nitrophenyl)-2-oxopropanoic acid?
You can request a quote for 3-(5-Methoxy-4-methyl-2-nitrophenyl)-2-oxopropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-Methoxy-4-methyl-2-nitrophenyl)-2-oxopropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Methoxy-4-methyl-2-nitrophenyl)-2-oxopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.