Dinocton-O
TL;DR: Dinocton-O (CAS 8069-76-9) is a chemical compound with molecular formula C32H44N4O14 and molecular weight 708.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate
Also Known As: Dinocton-O, Dinocton-O [ISO], Caswell No. 561B, EPA Pesticide Chemical Code 561400, Carbonic acid, 2,4-dinitro-6-(1-propylpentyl)phenyl methyl ester, mixt. with 2-(1-ethylhexyl)-4,6-dinitrophenyl methyl carbonate
| Molecular Formula | C32H44N4O14 |
|---|---|
| Molecular Weight | 708.29 g/mol |
| LogP | 9.4442 |
| Topological Polar Surface Area | 254.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 18 |
| Exact Mass | 708.2854 |
| Heavy Atoms | 50 |
| Complexity | 921.0 |
Chemical Identifiers
| CAS Number | 8069-76-9 |
|---|---|
| SMILES | CCCCCC(CC)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)OC.CCCCC(CCC)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)OC |
| InChIKey | BTYIGYHTCNTYTP-UHFFFAOYSA-N |
Product Overview
Dinocton-O (CAS 8069-76-9), with molecular formula C32H44N4O14 and molecular weight 708.29 g/mol. IUPAC: (2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate.
Chemical Property Profile of Dinocton-O
Property Insights of Dinocton-O
The XLogP value of 9.4442 indicates that Dinocton-O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 254.0 Ų indicates high polarity, suggesting Dinocton-O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dinocton-O has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dinocton-O?
The CAS number of Dinocton-O is 8069-76-9.
What is the molecular formula of Dinocton-O?
The molecular formula of Dinocton-O is C32H44N4O14.
What is the molecular weight of Dinocton-O?
The molecular weight of Dinocton-O is 708.29 g/mol.
Where can I buy Dinocton-O?
You can request a quote for Dinocton-O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dinocton-O?
Yes, KEHONG BIO provides custom synthesis services for Dinocton-O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.