Phenyl 3,5-dinitrobenzoate
TL;DR: Phenyl 3,5-dinitrobenzoate (CAS 1523-20-2) is a chemical compound with molecular formula C13H8N2O6 and molecular weight 288.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 3,5-dinitrobenzoate
Also Known As: phenyl 3,5-dinitrobenzoate, 3,5-Dinitrobenzoic acid phenyl ester, 3,5-Dinitrobenzoesaeurephenylester, Benzoic acid, 3,5-dinitro-, phenyl ester, 3,5-dinitro-benzoic acid phenyl ester
| Molecular Formula | C13H8N2O6 |
|---|---|
| Molecular Weight | 288.04 g/mol |
| LogP | 2.7222 |
| Topological Polar Surface Area | 112.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.03824 |
| Heavy Atoms | 21 |
| Complexity | 681.6064 |
Chemical Identifiers
| CAS Number | 1523-20-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Phenyl 3,5-dinitrobenzoate (CAS 1523-20-2), with molecular formula C13H8N2O6 and molecular weight 288.04 g/mol. IUPAC: phenyl 3,5-dinitrobenzoate.
Chemical Property Profile of Phenyl 3,5-dinitrobenzoate
Property Insights of Phenyl 3,5-dinitrobenzoate
The XLogP value of 2.7222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl 3,5-dinitrobenzoate. The TPSA of 112.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl 3,5-dinitrobenzoate. Following Lipinski's Rule of Five, Phenyl 3,5-dinitrobenzoate 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 Phenyl 3,5-dinitrobenzoate?
The CAS number of Phenyl 3,5-dinitrobenzoate is 1523-20-2.
What is the molecular formula of Phenyl 3,5-dinitrobenzoate?
The molecular formula of Phenyl 3,5-dinitrobenzoate is C13H8N2O6.
What is the molecular weight of Phenyl 3,5-dinitrobenzoate?
The molecular weight of Phenyl 3,5-dinitrobenzoate is 288.04 g/mol.
Where can I buy Phenyl 3,5-dinitrobenzoate?
You can request a quote for Phenyl 3,5-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.