(4-Propoxycarbonylphenyl) 2,4-dinitrobenzoate
TL;DR: (4-Propoxycarbonylphenyl) 2,4-dinitrobenzoate (CAS 415696-15-0) is a chemical compound with molecular formula C17H14N2O8 and molecular weight 374.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-propoxycarbonylphenyl) 2,4-dinitrobenzoate
Also Known As: (4-propoxycarbonylphenyl) 2,4-dinitrobenzoate, 4-(propoxycarbonyl)phenyl 2,4-dinitrobenzoate
| Molecular Formula | C17H14N2O8 |
|---|---|
| Molecular Weight | 374.07 g/mol |
| LogP | 3.289 |
| Topological Polar Surface Area | 138.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.075 |
| Heavy Atoms | 27 |
| Complexity | 892.30646 |
Chemical Identifiers
| CAS Number | 415696-15-0 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
(4-Propoxycarbonylphenyl) 2,4-dinitrobenzoate (CAS 415696-15-0), with molecular formula C17H14N2O8 and molecular weight 374.07 g/mol. IUPAC: (4-propoxycarbonylphenyl) 2,4-dinitrobenzoate.
Chemical Property Profile of (4-Propoxycarbonylphenyl) 2,4-dinitrobenzoate
Property Insights of (4-Propoxycarbonylphenyl) 2,4-dinitrobenzoate
The XLogP value of 3.289 indicates that (4-Propoxycarbonylphenyl) 2,4-dinitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Propoxycarbonylphenyl) 2,4-dinitrobenzoate. Following Lipinski's Rule of Five, (4-Propoxycarbonylphenyl) 2,4-dinitrobenzoate has 0 hydrogen bond donor(s) and 8 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-Propoxycarbonylphenyl) 2,4-dinitrobenzoate?
The CAS number of (4-Propoxycarbonylphenyl) 2,4-dinitrobenzoate is 415696-15-0.
What is the molecular formula of (4-Propoxycarbonylphenyl) 2,4-dinitrobenzoate?
The molecular formula of (4-Propoxycarbonylphenyl) 2,4-dinitrobenzoate is C17H14N2O8.
What is the molecular weight of (4-Propoxycarbonylphenyl) 2,4-dinitrobenzoate?
The molecular weight of (4-Propoxycarbonylphenyl) 2,4-dinitrobenzoate is 374.07 g/mol.
Where can I buy (4-Propoxycarbonylphenyl) 2,4-dinitrobenzoate?
You can request a quote for (4-Propoxycarbonylphenyl) 2,4-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Propoxycarbonylphenyl) 2,4-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Propoxycarbonylphenyl) 2,4-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.