4-Nitrophenyl 3-phenylpropanoate
TL;DR: 4-Nitrophenyl 3-phenylpropanoate (CAS 17895-71-5) is a chemical compound with molecular formula C15H13NO4 and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 3-phenylpropanoate
Also Known As: 4-Nitrophenyl 3-phenylpropanoate, (4-nitrophenyl) 3-phenylpropanoate, 4-Nitrophenyl 3-phenylpropanoate #, 4-Nitrophenyl-.beta.-phenylpropionate, Benzenepropionic acid 4-nitrophenyl ester
| Molecular Formula | C15H13NO4 |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.08447 |
| Heavy Atoms | 20 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 17895-71-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | GYFYEPQCKDJYCF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrophenyl 3-phenylpropanoate (CAS 17895-71-5), with molecular formula C15H13NO4 and molecular weight 271.08 g/mol. IUPAC: (4-nitrophenyl) 3-phenylpropanoate.
Chemical Property Profile of 4-Nitrophenyl 3-phenylpropanoate
Property Insights of 4-Nitrophenyl 3-phenylpropanoate
The XLogP value of 3.4 indicates that 4-Nitrophenyl 3-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl 3-phenylpropanoate. Following Lipinski's Rule of Five, 4-Nitrophenyl 3-phenylpropanoate has 0 hydrogen bond donor(s) and 4 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-Nitrophenyl 3-phenylpropanoate?
The CAS number of 4-Nitrophenyl 3-phenylpropanoate is 17895-71-5.
What is the molecular formula of 4-Nitrophenyl 3-phenylpropanoate?
The molecular formula of 4-Nitrophenyl 3-phenylpropanoate is C15H13NO4.
What is the molecular weight of 4-Nitrophenyl 3-phenylpropanoate?
The molecular weight of 4-Nitrophenyl 3-phenylpropanoate is 271.08 g/mol.
Where can I buy 4-Nitrophenyl 3-phenylpropanoate?
You can request a quote for 4-Nitrophenyl 3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl 3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl 3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.