Benzenepropanoic acid, 2,4-dinitrophenyl ester
TL;DR: Benzenepropanoic acid, 2,4-dinitrophenyl ester (CAS 23522-80-7) is a chemical compound with molecular formula C15H12N2O6 and molecular weight 316.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dinitrophenyl) 3-phenylpropanoate
Also Known As: 2,4-Dinitrophenyl 3-phenylpropanoate, Benzenepropanoic acid, 2,4-dinitrophenyl ester, (2,4-dinitrophenyl) 3-phenylpropanoate, 2,4-Dinitrophenyl 3-phenylpropanoate #, 2,4-Dinitrophenyl-.beta.-phenylpropionate
| Molecular Formula | C15H12N2O6 |
|---|---|
| Molecular Weight | 316.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.06955 |
| Heavy Atoms | 23 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 23522-80-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | UFMWXKFBOFTLSP-UHFFFAOYSA-N |
Product Overview
Benzenepropanoic acid, 2,4-dinitrophenyl ester (CAS 23522-80-7), with molecular formula C15H12N2O6 and molecular weight 316.07 g/mol. IUPAC: (2,4-dinitrophenyl) 3-phenylpropanoate.
Chemical Property Profile of Benzenepropanoic acid, 2,4-dinitrophenyl ester
Property Insights of Benzenepropanoic acid, 2,4-dinitrophenyl ester
The XLogP value of 3.2 indicates that Benzenepropanoic acid, 2,4-dinitrophenyl ester 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 Benzenepropanoic acid, 2,4-dinitrophenyl ester. Following Lipinski's Rule of Five, Benzenepropanoic acid, 2,4-dinitrophenyl ester 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 Benzenepropanoic acid, 2,4-dinitrophenyl ester?
The CAS number of Benzenepropanoic acid, 2,4-dinitrophenyl ester is 23522-80-7.
What is the molecular formula of Benzenepropanoic acid, 2,4-dinitrophenyl ester?
The molecular formula of Benzenepropanoic acid, 2,4-dinitrophenyl ester is C15H12N2O6.
What is the molecular weight of Benzenepropanoic acid, 2,4-dinitrophenyl ester?
The molecular weight of Benzenepropanoic acid, 2,4-dinitrophenyl ester is 316.07 g/mol.
Where can I buy Benzenepropanoic acid, 2,4-dinitrophenyl ester?
You can request a quote for Benzenepropanoic acid, 2,4-dinitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanoic acid, 2,4-dinitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanoic acid, 2,4-dinitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.