4-Nitrophenyloctanoate
TL;DR: 4-Nitrophenyloctanoate (CAS 1956-10-1) is a chemical compound with molecular formula C14H19NO4 and molecular weight 265.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) octanoate
Also Known As: 4-Nitrophenyl octanoate, 4-Nitrophenyl caprylate, p-Nitrophenyl caprylate, 4-Nitrophenyloctanoate, (4-nitrophenyl) octanoate
| Molecular Formula | C14H19NO4 |
|---|---|
| Molecular Weight | 265.13 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 265.1314 |
| Heavy Atoms | 19 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 1956-10-1 |
|---|---|
| SMILES | CCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | GGIDEJQGAZSTES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrophenyloctanoate (CAS 1956-10-1), with molecular formula C14H19NO4 and molecular weight 265.13 g/mol. IUPAC: (4-nitrophenyl) octanoate.
Chemical Property Profile of 4-Nitrophenyloctanoate
Property Insights of 4-Nitrophenyloctanoate
The XLogP value of 4.5 indicates that 4-Nitrophenyloctanoate 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-Nitrophenyloctanoate. Following Lipinski's Rule of Five, 4-Nitrophenyloctanoate 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-Nitrophenyloctanoate?
The CAS number of 4-Nitrophenyloctanoate is 1956-10-1.
What is the molecular formula of 4-Nitrophenyloctanoate?
The molecular formula of 4-Nitrophenyloctanoate is C14H19NO4.
What is the molecular weight of 4-Nitrophenyloctanoate?
The molecular weight of 4-Nitrophenyloctanoate is 265.13 g/mol.
Where can I buy 4-Nitrophenyloctanoate?
You can request a quote for 4-Nitrophenyloctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyloctanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyloctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.