O-(2-Ethylhexyl) o-isobutyl dithiophosphate
TL;DR: O-(2-Ethylhexyl) o-isobutyl dithiophosphate (CAS 63450-07-7) is a chemical compound with molecular formula C12H27O2PS2 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexoxy-(2-methylpropoxy)-sulfanyl-sulfanylidene-λ5-phosphane
Also Known As: O-(2-Ethylhexyl) o-isobutyl dithiophosphate, O,(2-ethylhexyl) o-isobutyl phosphorodithioate, Phosphonic acid, bis(nonylphenyl) ester, O-(2-ethylhexyl) O-isobutyl hydrogen dithiophosphate, Phosphorodithioic acid, 2-ethylhexyl 2-methylpropyl ester
| Molecular Formula | C12H27O2PS2 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 298.11902 |
| Heavy Atoms | 17 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 63450-07-7 |
|---|---|
| SMILES | CCCCC(CC)COP(=S)(OCC(C)C)S |
| InChIKey | MMNHBJSAJAQAQT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-(2-Ethylhexyl) o-isobutyl dithiophosphate (CAS 63450-07-7), with molecular formula C12H27O2PS2 and molecular weight 298.12 g/mol. IUPAC: 2-ethylhexoxy-(2-methylpropoxy)-sulfanyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-(2-Ethylhexyl) o-isobutyl dithiophosphate
Property Insights of O-(2-Ethylhexyl) o-isobutyl dithiophosphate
The XLogP value of 6.1 indicates that O-(2-Ethylhexyl) o-isobutyl dithiophosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, O-(2-Ethylhexyl) o-isobutyl dithiophosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(2-Ethylhexyl) o-isobutyl dithiophosphate has 1 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 O-(2-Ethylhexyl) o-isobutyl dithiophosphate?
The CAS number of O-(2-Ethylhexyl) o-isobutyl dithiophosphate is 63450-07-7.
What is the molecular formula of O-(2-Ethylhexyl) o-isobutyl dithiophosphate?
The molecular formula of O-(2-Ethylhexyl) o-isobutyl dithiophosphate is C12H27O2PS2.
What is the molecular weight of O-(2-Ethylhexyl) o-isobutyl dithiophosphate?
The molecular weight of O-(2-Ethylhexyl) o-isobutyl dithiophosphate is 298.12 g/mol.
Where can I buy O-(2-Ethylhexyl) o-isobutyl dithiophosphate?
You can request a quote for O-(2-Ethylhexyl) o-isobutyl dithiophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(2-Ethylhexyl) o-isobutyl dithiophosphate?
Yes, KEHONG BIO provides custom synthesis services for O-(2-Ethylhexyl) o-isobutyl dithiophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.