4-Nitrophenyl hexanoate
TL;DR: 4-Nitrophenyl hexanoate (CAS 97605-82-8) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) hexanoate
Also Known As: 4-Nitrophenyl hexanoate, (4-nitrophenyl) hexanoate, p-Nitrophenyl hexanoate, p-nitrophenyl caproate, Hexanoic acid, 4-nitrophenyl ester
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 97605-82-8 |
|---|---|
| SMILES | CCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | OLRXUEYZKCCEKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrophenyl hexanoate (CAS 97605-82-8), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: (4-nitrophenyl) hexanoate.
Chemical Property Profile of 4-Nitrophenyl hexanoate
Property Insights of 4-Nitrophenyl hexanoate
The XLogP value of 3.4 indicates that 4-Nitrophenyl hexanoate 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-Nitrophenyl hexanoate. Following Lipinski's Rule of Five, 4-Nitrophenyl hexanoate 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 hexanoate?
The CAS number of 4-Nitrophenyl hexanoate is 97605-82-8.
What is the molecular formula of 4-Nitrophenyl hexanoate?
The molecular formula of 4-Nitrophenyl hexanoate is C12H15NO4.
What is the molecular weight of 4-Nitrophenyl hexanoate?
The molecular weight of 4-Nitrophenyl hexanoate is 237.10 g/mol.
Where can I buy 4-Nitrophenyl hexanoate?
You can request a quote for 4-Nitrophenyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.