O,O-Bis(2-methoxyethyl) O-octan-2-yl phosphorothioate
TL;DR: O,O-Bis(2-methoxyethyl) O-octan-2-yl phosphorothioate (CAS 72209-06-4) is a chemical compound with molecular formula C14H31O5PS and molecular weight 342.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-methoxyethoxy)-octan-2-yloxy-sulfanylidene-λ5-phosphane
Also Known As: O,O-Bis(2-methoxyethyl) S-octylphosphorothioate, Phosphorothioic acid, O,O-bis(2-methoxyethyl) S-octyl ester, bis(2-methoxyethoxy)-octan-2-yloxy-sulfanylidene-, O,O-BIS(2-METHOXYETHYL) O-OCTAN-2-YL PHOSPHOROTHIOATE, O,O-Bis(2-methoxyethyl) O-(octan-2-yl) phosphorothioate
| Molecular Formula | C14H31O5PS |
|---|---|
| Molecular Weight | 342.16 g/mol |
| LogP | 3.9124 |
| Topological Polar Surface Area | 46.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 342.163 |
| Heavy Atoms | 21 |
| Complexity | 264.09 |
Chemical Identifiers
| CAS Number | 72209-06-4 |
|---|---|
| SMILES | CCCCCCC(C)OP(=S)(OCCOC)OCCOC |
Product Overview
O,O-Bis(2-methoxyethyl) O-octan-2-yl phosphorothioate (CAS 72209-06-4), with molecular formula C14H31O5PS and molecular weight 342.16 g/mol. IUPAC: bis(2-methoxyethoxy)-octan-2-yloxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O,O-Bis(2-methoxyethyl) O-octan-2-yl phosphorothioate
Property Insights of O,O-Bis(2-methoxyethyl) O-octan-2-yl phosphorothioate
The XLogP value of 3.9124 indicates that O,O-Bis(2-methoxyethyl) 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 46.15 Ų, O,O-Bis(2-methoxyethyl) O-octan-2-yl phosphorothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O,O-Bis(2-methoxyethyl) O-octan-2-yl phosphorothioate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O,O-Bis(2-methoxyethyl) O-octan-2-yl phosphorothioate?
The CAS number of O,O-Bis(2-methoxyethyl) O-octan-2-yl phosphorothioate is 72209-06-4.
What is the molecular formula of O,O-Bis(2-methoxyethyl) O-octan-2-yl phosphorothioate?
The molecular formula of O,O-Bis(2-methoxyethyl) O-octan-2-yl phosphorothioate is C14H31O5PS.
What is the molecular weight of O,O-Bis(2-methoxyethyl) O-octan-2-yl phosphorothioate?
The molecular weight of O,O-Bis(2-methoxyethyl) O-octan-2-yl phosphorothioate is 342.16 g/mol.
Where can I buy O,O-Bis(2-methoxyethyl) O-octan-2-yl phosphorothioate?
You can request a quote for O,O-Bis(2-methoxyethyl) 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-Bis(2-methoxyethyl) O-octan-2-yl phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for O,O-Bis(2-methoxyethyl) O-octan-2-yl phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.