Cyclopentanecarboxylic acid, 4-nitrophenyl ester
TL;DR: Cyclopentanecarboxylic acid, 4-nitrophenyl ester (CAS 42721-91-5) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) cyclopentanecarboxylate
Also Known As: 4-nitrophenyl cyclopentanecarboxylate, Cyclopentanecarboxylic acid, 4-nitrophenyl ester, (4-nitrophenyl) Cyclopentanecarboxylate
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 42721-91-5 |
|---|---|
| SMILES | C1CCC(C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | PDWMECLUAQUZCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclopentanecarboxylic acid, 4-nitrophenyl ester (CAS 42721-91-5), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: (4-nitrophenyl) cyclopentanecarboxylate.
Chemical Property Profile of Cyclopentanecarboxylic acid, 4-nitrophenyl ester
Property Insights of Cyclopentanecarboxylic acid, 4-nitrophenyl ester
The XLogP value of 3.0 indicates that Cyclopentanecarboxylic acid, 4-nitrophenyl ester 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 Cyclopentanecarboxylic acid, 4-nitrophenyl ester. Following Lipinski's Rule of Five, Cyclopentanecarboxylic 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 Cyclopentanecarboxylic acid, 4-nitrophenyl ester?
The CAS number of Cyclopentanecarboxylic acid, 4-nitrophenyl ester is 42721-91-5.
What is the molecular formula of Cyclopentanecarboxylic acid, 4-nitrophenyl ester?
The molecular formula of Cyclopentanecarboxylic acid, 4-nitrophenyl ester is C12H13NO4.
What is the molecular weight of Cyclopentanecarboxylic acid, 4-nitrophenyl ester?
The molecular weight of Cyclopentanecarboxylic acid, 4-nitrophenyl ester is 235.08 g/mol.
Where can I buy Cyclopentanecarboxylic acid, 4-nitrophenyl ester?
You can request a quote for Cyclopentanecarboxylic 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 Cyclopentanecarboxylic acid, 4-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclopentanecarboxylic acid, 4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.