O,O-Diethyl O-octan-2-yl phosphorothioate
TL;DR: O,O-Diethyl O-octan-2-yl phosphorothioate (CAS 63246-63-9) is a chemical compound with molecular formula C12H27O3PS and molecular weight 282.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-octan-2-yloxy-sulfanylidene-λ5-phosphane
Also Known As: O,O-Diethyl S-octyl phosphorothioate, o,o-diethyl o-octan-2-yl phosphorothioate, diethoxy-octan-2-yloxy-sulfanylidene-, Phosphorothioic acid, O,O-diethyl S-octyl ester, O,O-Diethyl O-(octan-2-yl) phosphorothioate
| Molecular Formula | C12H27O3PS |
|---|---|
| Molecular Weight | 282.14 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 282.14185 |
| Heavy Atoms | 17 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 63246-63-9 |
|---|---|
| SMILES | CCCCCCC(C)OP(=S)(OCC)OCC |
| InChIKey | ZKPOIXQVWSSTAQ-UHFFFAOYSA-N |
Product Overview
O,O-Diethyl O-octan-2-yl phosphorothioate (CAS 63246-63-9), with molecular formula C12H27O3PS and molecular weight 282.14 g/mol. IUPAC: diethoxy-octan-2-yloxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O,O-Diethyl O-octan-2-yl phosphorothioate
Property Insights of O,O-Diethyl O-octan-2-yl phosphorothioate
The XLogP value of 5.3 indicates that O,O-Diethyl O-octan-2-yl phosphorothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.8 Ų, O,O-Diethyl O-octan-2-yl phosphorothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O,O-Diethyl O-octan-2-yl phosphorothioate 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 O,O-Diethyl O-octan-2-yl phosphorothioate?
The CAS number of O,O-Diethyl O-octan-2-yl phosphorothioate is 63246-63-9.
What is the molecular formula of O,O-Diethyl O-octan-2-yl phosphorothioate?
The molecular formula of O,O-Diethyl O-octan-2-yl phosphorothioate is C12H27O3PS.
What is the molecular weight of O,O-Diethyl O-octan-2-yl phosphorothioate?
The molecular weight of O,O-Diethyl O-octan-2-yl phosphorothioate is 282.14 g/mol.
Where can I buy O,O-Diethyl O-octan-2-yl phosphorothioate?
You can request a quote for O,O-Diethyl O-octan-2-yl phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,O-Diethyl O-octan-2-yl phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for O,O-Diethyl O-octan-2-yl phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.