p-Nitrophenyl propionate
TL;DR: p-Nitrophenyl propionate (CAS 1956-06-5) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) propanoate
Also Known As: 4-Nitrophenyl propionate, p-nitrophenyl propionate, 4-nitrophenyl propanoate, (4-nitrophenyl) propanoate, p-nitrophenylpropionate
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 1956-06-5 |
|---|---|
| SMILES | CCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | DCQWRDUXRZSWHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Nitrophenyl propionate (CAS 1956-06-5), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: (4-nitrophenyl) propanoate.
Chemical Property Profile of p-Nitrophenyl propionate
Property Insights of p-Nitrophenyl propionate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Nitrophenyl propionate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Nitrophenyl propionate. Following Lipinski's Rule of Five, p-Nitrophenyl propionate 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 p-Nitrophenyl propionate?
The CAS number of p-Nitrophenyl propionate is 1956-06-5.
What is the molecular formula of p-Nitrophenyl propionate?
The molecular formula of p-Nitrophenyl propionate is C9H9NO4.
What is the molecular weight of p-Nitrophenyl propionate?
The molecular weight of p-Nitrophenyl propionate is 195.05 g/mol.
Where can I buy p-Nitrophenyl propionate?
You can request a quote for p-Nitrophenyl propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Nitrophenyl propionate?
Yes, KEHONG BIO provides custom synthesis services for p-Nitrophenyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.