2-Nitrophenyl hexanoate
TL;DR: 2-Nitrophenyl hexanoate (CAS 7780-14-5) 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.
(2-nitrophenyl) hexanoate
Also Known As: 2-Nitrophenyl hexanoate, (2-nitrophenyl) Hexanoate, 4-Nitro phenyl caproate, o-nitrophenyl caproate, 4-Nitrophenyl hexanoate
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 3.0805 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 403.24704 |
Chemical Identifiers
| CAS Number | 7780-14-5 |
|---|---|
| SMILES | CCCCCC(=O)OC1=CC=CC=C1[N+](=O)[O-] |
Product Overview
2-Nitrophenyl hexanoate (CAS 7780-14-5), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: (2-nitrophenyl) hexanoate.
Chemical Property Profile of 2-Nitrophenyl hexanoate
Property Insights of 2-Nitrophenyl hexanoate
The XLogP value of 3.0805 indicates that 2-Nitrophenyl hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrophenyl hexanoate. Following Lipinski's Rule of Five, 2-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 2-Nitrophenyl hexanoate?
The CAS number of 2-Nitrophenyl hexanoate is 7780-14-5.
What is the molecular formula of 2-Nitrophenyl hexanoate?
The molecular formula of 2-Nitrophenyl hexanoate is C12H15NO4.
What is the molecular weight of 2-Nitrophenyl hexanoate?
The molecular weight of 2-Nitrophenyl hexanoate is 237.10 g/mol.
Where can I buy 2-Nitrophenyl hexanoate?
You can request a quote for 2-Nitrophenyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrophenyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrophenyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.