2-Chloro-5-nitrobenzyl 4-nitrobenzenecarboxylate
TL;DR: 2-Chloro-5-nitrobenzyl 4-nitrobenzenecarboxylate (CAS 331460-24-3) is a chemical compound with molecular formula C14H9ClN2O6 and molecular weight 336.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-5-nitrophenyl)methyl 4-nitrobenzoate
Also Known As: 2-chloro-5-nitrobenzyl 4-nitrobenzenecarboxylate, (2-chloro-5-nitrophenyl)methyl 4-nitrobenzoate, (2-chloro-5-nitrophenyl)methyl4-nitrobenzoate, (2-chloro-5-nitro-phenyl)methyl 4-nitrobenzoate
| Molecular Formula | C14H9ClN2O6 |
|---|---|
| Molecular Weight | 336.01 g/mol |
| LogP | 3.5134 |
| Topological Polar Surface Area | 112.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.01492 |
| Heavy Atoms | 23 |
| Complexity | 775.337 |
Chemical Identifiers
| CAS Number | 331460-24-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCC2=C(C=CC(=C2)[N+](=O)[O-])Cl)[N+](=O)[O-] |
Product Overview
2-Chloro-5-nitrobenzyl 4-nitrobenzenecarboxylate (CAS 331460-24-3), with molecular formula C14H9ClN2O6 and molecular weight 336.01 g/mol. IUPAC: (2-chloro-5-nitrophenyl)methyl 4-nitrobenzoate.
Chemical Property Profile of 2-Chloro-5-nitrobenzyl 4-nitrobenzenecarboxylate
Property Insights of 2-Chloro-5-nitrobenzyl 4-nitrobenzenecarboxylate
The XLogP value of 3.5134 indicates that 2-Chloro-5-nitrobenzyl 4-nitrobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-5-nitrobenzyl 4-nitrobenzenecarboxylate. Following Lipinski's Rule of Five, 2-Chloro-5-nitrobenzyl 4-nitrobenzenecarboxylate has 0 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 2-Chloro-5-nitrobenzyl 4-nitrobenzenecarboxylate?
The CAS number of 2-Chloro-5-nitrobenzyl 4-nitrobenzenecarboxylate is 331460-24-3.
What is the molecular formula of 2-Chloro-5-nitrobenzyl 4-nitrobenzenecarboxylate?
The molecular formula of 2-Chloro-5-nitrobenzyl 4-nitrobenzenecarboxylate is C14H9ClN2O6.
What is the molecular weight of 2-Chloro-5-nitrobenzyl 4-nitrobenzenecarboxylate?
The molecular weight of 2-Chloro-5-nitrobenzyl 4-nitrobenzenecarboxylate is 336.01 g/mol.
Where can I buy 2-Chloro-5-nitrobenzyl 4-nitrobenzenecarboxylate?
You can request a quote for 2-Chloro-5-nitrobenzyl 4-nitrobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-5-nitrobenzyl 4-nitrobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-nitrobenzyl 4-nitrobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.