4-硝基苯甲酸辛酯
TL;DR: 4-硝基苯甲酸辛酯 (CAS 6500-50-1) is a chemical compound with molecular formula C15H21NO4 and molecular weight 279.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-硝基苯甲酸辛酯
octyl 4-nitrobenzoate
Also Known As: Octyl 4-nitrobenzoate, Octyl p-nitrobenzoate, octylp-nitrobenzoate, Benzoic acid, 4-nitro-, octyl ester, n-octyl 4-nitrobenzoate
| Molecular Formula | C15H21NO4 |
|---|---|
| Molecular Weight | 279.15 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 279.14706 |
| Heavy Atoms | 20 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 6500-50-1 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | WHZYPQVZYYTVFW-UHFFFAOYSA-N |
Product Overview
4-硝基苯甲酸辛酯 (CAS 6500-50-1), with molecular formula C15H21NO4 and molecular weight 279.15 g/mol. IUPAC: octyl 4-nitrobenzoate.
Chemical Property Profile of 4-硝基苯甲酸辛酯
Property Insights of 4-硝基苯甲酸辛酯
The XLogP value of 5.5 indicates that 4-硝基苯甲酸辛酯 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-硝基苯甲酸辛酯. Following Lipinski's Rule of Five, 4-硝基苯甲酸辛酯 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-硝基苯甲酸辛酯?
The CAS number of 4-硝基苯甲酸辛酯 is 6500-50-1.
What is the molecular formula of 4-硝基苯甲酸辛酯?
The molecular formula of 4-硝基苯甲酸辛酯 is C15H21NO4.
What is the molecular weight of 4-硝基苯甲酸辛酯?
The molecular weight of 4-硝基苯甲酸辛酯 is 279.15 g/mol.
Where can I buy 4-硝基苯甲酸辛酯?
You can request a quote for 4-硝基苯甲酸辛酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-硝基苯甲酸辛酯?
Yes, KEHONG BIO provides custom synthesis services for 4-硝基苯甲酸辛酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.