4-Nitrobenzyl 2-nitrobenzoate
TL;DR: 4-Nitrobenzyl 2-nitrobenzoate (CAS 7471-30-9) is a chemical compound with molecular formula C14H10N2O6 and molecular weight 302.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl 2-nitrobenzoate
Also Known As: 4-nitrobenzyl 2-nitrobenzoate, (4-nitrophenyl)methyl 2-nitrobenzoate, A0961/0044872, RefChem:295068
| Molecular Formula | C14H10N2O6 |
|---|---|
| Molecular Weight | 302.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.0539 |
| Heavy Atoms | 22 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 7471-30-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | KJUUWRYIMNTSLH-UHFFFAOYSA-N |
Product Overview
4-Nitrobenzyl 2-nitrobenzoate (CAS 7471-30-9), with molecular formula C14H10N2O6 and molecular weight 302.05 g/mol. IUPAC: (4-nitrophenyl)methyl 2-nitrobenzoate.
Chemical Property Profile of 4-Nitrobenzyl 2-nitrobenzoate
Property Insights of 4-Nitrobenzyl 2-nitrobenzoate
The XLogP value of 3.0 indicates that 4-Nitrobenzyl 2-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzyl 2-nitrobenzoate. Following Lipinski's Rule of Five, 4-Nitrobenzyl 2-nitrobenzoate 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 4-Nitrobenzyl 2-nitrobenzoate?
The CAS number of 4-Nitrobenzyl 2-nitrobenzoate is 7471-30-9.
What is the molecular formula of 4-Nitrobenzyl 2-nitrobenzoate?
The molecular formula of 4-Nitrobenzyl 2-nitrobenzoate is C14H10N2O6.
What is the molecular weight of 4-Nitrobenzyl 2-nitrobenzoate?
The molecular weight of 4-Nitrobenzyl 2-nitrobenzoate is 302.05 g/mol.
Where can I buy 4-Nitrobenzyl 2-nitrobenzoate?
You can request a quote for 4-Nitrobenzyl 2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrobenzyl 2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzyl 2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.