3-(4-Chloro-3-nitro-phenyl)-3-oxo-propionic acid methyl ester
TL;DR: 3-(4-Chloro-3-nitro-phenyl)-3-oxo-propionic acid methyl ester (CAS 677326-73-7) is a chemical compound with molecular formula C10H8ClNO5 and molecular weight 257.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-chloro-3-nitrophenyl)-3-oxopropanoate
Also Known As: methyl 3-(4-chloro-3-nitrophenyl)-3-oxopropanoate, 3-(4-Chloro-3-nitro-phenyl)-3-oxo-propionic acid methyl ester, methyl3-(4-chloro-3-nitrophenyl)-3-oxopropanoate, Methyl 4-chloro-3-nitro-I(2)-oxobenzenepropanoate, 3-(4-chloro-3-nitro-phenyl)-3-oxo-propionic acidmethyl ester
| Molecular Formula | C10H8ClNO5 |
|---|---|
| Molecular Weight | 257.01 g/mol |
| LogP | 1.994 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.0091 |
| Heavy Atoms | 17 |
| Complexity | 485.58466 |
Chemical Identifiers
| CAS Number | 677326-73-7 |
|---|---|
| SMILES | COC(=O)CC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-] |
Product Overview
3-(4-Chloro-3-nitro-phenyl)-3-oxo-propionic acid methyl ester (CAS 677326-73-7), with molecular formula C10H8ClNO5 and molecular weight 257.01 g/mol. IUPAC: methyl 3-(4-chloro-3-nitrophenyl)-3-oxopropanoate.
Chemical Property Profile of 3-(4-Chloro-3-nitro-phenyl)-3-oxo-propionic acid methyl ester
Property Insights of 3-(4-Chloro-3-nitro-phenyl)-3-oxo-propionic acid methyl ester
The XLogP value of 1.994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chloro-3-nitro-phenyl)-3-oxo-propionic acid methyl ester. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Chloro-3-nitro-phenyl)-3-oxo-propionic acid methyl ester. Following Lipinski's Rule of Five, 3-(4-Chloro-3-nitro-phenyl)-3-oxo-propionic acid methyl ester 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 3-(4-Chloro-3-nitro-phenyl)-3-oxo-propionic acid methyl ester?
The CAS number of 3-(4-Chloro-3-nitro-phenyl)-3-oxo-propionic acid methyl ester is 677326-73-7.
What is the molecular formula of 3-(4-Chloro-3-nitro-phenyl)-3-oxo-propionic acid methyl ester?
The molecular formula of 3-(4-Chloro-3-nitro-phenyl)-3-oxo-propionic acid methyl ester is C10H8ClNO5.
What is the molecular weight of 3-(4-Chloro-3-nitro-phenyl)-3-oxo-propionic acid methyl ester?
The molecular weight of 3-(4-Chloro-3-nitro-phenyl)-3-oxo-propionic acid methyl ester is 257.01 g/mol.
Where can I buy 3-(4-Chloro-3-nitro-phenyl)-3-oxo-propionic acid methyl ester?
You can request a quote for 3-(4-Chloro-3-nitro-phenyl)-3-oxo-propionic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chloro-3-nitro-phenyl)-3-oxo-propionic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chloro-3-nitro-phenyl)-3-oxo-propionic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.