4-Nitrophenyl valerate
TL;DR: 4-Nitrophenyl valerate (CAS 1956-07-6) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) pentanoate
Also Known As: 4-Nitrophenyl valerate, p-nitrophenyl valerate, 4-nitrophenyl pentanoate, (4-nitrophenyl) pentanoate, 4-Nitrophenol valerate
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 1956-07-6 |
|---|---|
| SMILES | CCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | RJQXEHRFVKJLJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrophenyl valerate (CAS 1956-07-6), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: (4-nitrophenyl) pentanoate.
Chemical Property Profile of 4-Nitrophenyl valerate
Property Insights of 4-Nitrophenyl valerate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenyl valerate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl valerate. Following Lipinski's Rule of Five, 4-Nitrophenyl valerate 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 valerate?
The CAS number of 4-Nitrophenyl valerate is 1956-07-6.
What is the molecular formula of 4-Nitrophenyl valerate?
The molecular formula of 4-Nitrophenyl valerate is C11H13NO4.
What is the molecular weight of 4-Nitrophenyl valerate?
The molecular weight of 4-Nitrophenyl valerate is 223.08 g/mol.
Where can I buy 4-Nitrophenyl valerate?
You can request a quote for 4-Nitrophenyl valerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl valerate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl valerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.