2,6-Dinitro-4-octylphenyl but-2-enoate
TL;DR: 2,6-Dinitro-4-octylphenyl but-2-enoate (CAS 39300-45-3) is a chemical compound with molecular formula C18H24N2O6 and molecular weight 364.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dinitro-4-octylphenyl) but-2-enoate
Also Known As: DINOCAP, 2,6-Dinitro-4-octylphenyl crotonate, 2,6-dinitro-4-octylphenyl but-2-enoate
| Molecular Formula | C18H24N2O6 |
|---|---|
| Molecular Weight | 364.16 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 364.16342 |
| Heavy Atoms | 26 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 39300-45-3 |
|---|---|
| SMILES | CCCCCCCCC1=CC(=C(C(=C1)[N+](=O)[O-])OC(=O)C=CC)[N+](=O)[O-] |
| InChIKey | SPFTUJJHNQXNEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dinitro-4-octylphenyl but-2-enoate (CAS 39300-45-3), with molecular formula C18H24N2O6 and molecular weight 364.16 g/mol. IUPAC: (2,6-dinitro-4-octylphenyl) but-2-enoate.
Chemical Property Profile of 2,6-Dinitro-4-octylphenyl but-2-enoate
Property Insights of 2,6-Dinitro-4-octylphenyl but-2-enoate
The XLogP value of 6.2 indicates that 2,6-Dinitro-4-octylphenyl but-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dinitro-4-octylphenyl but-2-enoate. Following Lipinski's Rule of Five, 2,6-Dinitro-4-octylphenyl but-2-enoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,6-Dinitro-4-octylphenyl but-2-enoate?
The CAS number of 2,6-Dinitro-4-octylphenyl but-2-enoate is 39300-45-3.
What is the molecular formula of 2,6-Dinitro-4-octylphenyl but-2-enoate?
The molecular formula of 2,6-Dinitro-4-octylphenyl but-2-enoate is C18H24N2O6.
What is the molecular weight of 2,6-Dinitro-4-octylphenyl but-2-enoate?
The molecular weight of 2,6-Dinitro-4-octylphenyl but-2-enoate is 364.16 g/mol.
Where can I buy 2,6-Dinitro-4-octylphenyl but-2-enoate?
You can request a quote for 2,6-Dinitro-4-octylphenyl but-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dinitro-4-octylphenyl but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dinitro-4-octylphenyl but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.