2-(3-Nitrophenyl)-2-oxoethyl 2-chlorobenzoate
TL;DR: 2-(3-Nitrophenyl)-2-oxoethyl 2-chlorobenzoate (CAS 331277-41-9) is a chemical compound with molecular formula C15H10ClNO5 and molecular weight 319.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-nitrophenyl)-2-oxoethyl] 2-chlorobenzoate
Also Known As: 2-(3-nitrophenyl)-2-oxoethyl 2-chlorobenzoate, [2-(3-nitrophenyl)-2-oxoethyl] 2-chlorobenzoate, BAS 00381936, 2-{3-nitrophenyl}-2-oxoethyl 2-chlorobenzoate, 2-Chloro-benzoic acid 2-(3-nitro-phenyl)-2-oxo-ethyl ester
| Molecular Formula | C15H10ClNO5 |
|---|---|
| Molecular Weight | 319.02 g/mol |
| LogP | 3.2879 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.02475 |
| Heavy Atoms | 22 |
| Complexity | 744.2176 |
Chemical Identifiers
| CAS Number | 331277-41-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])Cl |
Product Overview
2-(3-Nitrophenyl)-2-oxoethyl 2-chlorobenzoate (CAS 331277-41-9), with molecular formula C15H10ClNO5 and molecular weight 319.02 g/mol. IUPAC: [2-(3-nitrophenyl)-2-oxoethyl] 2-chlorobenzoate.
Chemical Property Profile of 2-(3-Nitrophenyl)-2-oxoethyl 2-chlorobenzoate
Property Insights of 2-(3-Nitrophenyl)-2-oxoethyl 2-chlorobenzoate
The XLogP value of 3.2879 indicates that 2-(3-Nitrophenyl)-2-oxoethyl 2-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Nitrophenyl)-2-oxoethyl 2-chlorobenzoate. Following Lipinski's Rule of Five, 2-(3-Nitrophenyl)-2-oxoethyl 2-chlorobenzoate 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 2-(3-Nitrophenyl)-2-oxoethyl 2-chlorobenzoate?
The CAS number of 2-(3-Nitrophenyl)-2-oxoethyl 2-chlorobenzoate is 331277-41-9.
What is the molecular formula of 2-(3-Nitrophenyl)-2-oxoethyl 2-chlorobenzoate?
The molecular formula of 2-(3-Nitrophenyl)-2-oxoethyl 2-chlorobenzoate is C15H10ClNO5.
What is the molecular weight of 2-(3-Nitrophenyl)-2-oxoethyl 2-chlorobenzoate?
The molecular weight of 2-(3-Nitrophenyl)-2-oxoethyl 2-chlorobenzoate is 319.02 g/mol.
Where can I buy 2-(3-Nitrophenyl)-2-oxoethyl 2-chlorobenzoate?
You can request a quote for 2-(3-Nitrophenyl)-2-oxoethyl 2-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Nitrophenyl)-2-oxoethyl 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Nitrophenyl)-2-oxoethyl 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.