4-Chloro-2-nitrophenyl benzoate
TL;DR: 4-Chloro-2-nitrophenyl benzoate (CAS 37593-94-5) is a chemical compound with molecular formula C13H8ClNO4 and molecular weight 277.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-2-nitrophenyl) benzoate
Also Known As: 4-chloro-2-nitrophenyl benzoate, (4-chloro-2-nitrophenyl) benzoate, (4-chloro-2-nitro-phenyl) benzoate, NCI60_007277, Benzoic acid 2-nitro-4-chlorophenyl ester
| Molecular Formula | C13H8ClNO4 |
|---|---|
| Molecular Weight | 277.01 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.0142 |
| Heavy Atoms | 19 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 37593-94-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | VATBFJSGHPZRDB-UHFFFAOYSA-N |
Product Overview
4-Chloro-2-nitrophenyl benzoate (CAS 37593-94-5), with molecular formula C13H8ClNO4 and molecular weight 277.01 g/mol. IUPAC: (4-chloro-2-nitrophenyl) benzoate.
Chemical Property Profile of 4-Chloro-2-nitrophenyl benzoate
Property Insights of 4-Chloro-2-nitrophenyl benzoate
The XLogP value of 3.8 indicates that 4-Chloro-2-nitrophenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2-nitrophenyl benzoate. Following Lipinski's Rule of Five, 4-Chloro-2-nitrophenyl benzoate has 0 hydrogen bond donor(s) and 4 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 4-Chloro-2-nitrophenyl benzoate?
The CAS number of 4-Chloro-2-nitrophenyl benzoate is 37593-94-5.
What is the molecular formula of 4-Chloro-2-nitrophenyl benzoate?
The molecular formula of 4-Chloro-2-nitrophenyl benzoate is C13H8ClNO4.
What is the molecular weight of 4-Chloro-2-nitrophenyl benzoate?
The molecular weight of 4-Chloro-2-nitrophenyl benzoate is 277.01 g/mol.
Where can I buy 4-Chloro-2-nitrophenyl benzoate?
You can request a quote for 4-Chloro-2-nitrophenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-nitrophenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-nitrophenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.