2-Propenoic acid, 4-nitrophenyl ester
TL;DR: 2-Propenoic acid, 4-nitrophenyl ester (CAS 2123-85-5) is a chemical compound with molecular formula C9H7NO4 and molecular weight 193.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) prop-2-enoate
Also Known As: 4-NITROPHENYL ACRYLATE, p-nitrophenyl acrylate, (4-nitrophenyl) prop-2-enoate, p-nitrophenylacrylate, 2-Propenoic acid, 4-nitrophenyl ester
| Molecular Formula | C9H7NO4 |
|---|---|
| Molecular Weight | 193.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.0375 |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 2123-85-5 |
|---|---|
| SMILES | C=CC(=O)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | PSRGGEQXKSZPRF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 4-nitrophenyl ester (CAS 2123-85-5), with molecular formula C9H7NO4 and molecular weight 193.04 g/mol. IUPAC: (4-nitrophenyl) prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 4-nitrophenyl ester
Property Insights of 2-Propenoic acid, 4-nitrophenyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 4-nitrophenyl ester. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 4-nitrophenyl ester. Following Lipinski's Rule of Five, 2-Propenoic acid, 4-nitrophenyl ester 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 2-Propenoic acid, 4-nitrophenyl ester?
The CAS number of 2-Propenoic acid, 4-nitrophenyl ester is 2123-85-5.
What is the molecular formula of 2-Propenoic acid, 4-nitrophenyl ester?
The molecular formula of 2-Propenoic acid, 4-nitrophenyl ester is C9H7NO4.
What is the molecular weight of 2-Propenoic acid, 4-nitrophenyl ester?
The molecular weight of 2-Propenoic acid, 4-nitrophenyl ester is 193.04 g/mol.
Where can I buy 2-Propenoic acid, 4-nitrophenyl ester?
You can request a quote for 2-Propenoic acid, 4-nitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 4-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.