Phosphorothioic acid, O,O-bis(2-ethoxyethyl) S-octyl ester
TL;DR: Phosphorothioic acid, O,O-bis(2-ethoxyethyl) S-octyl ester (CAS 72197-94-5) is a chemical compound with molecular formula C16H35O5PS and molecular weight 370.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-ethoxyethoxy)-octan-2-yloxy-sulfanylidene-λ5-phosphane
Also Known As: O,O-Bis(2-ethoxyethyl) S-octylphosphorothioate, Phosphorothioic acid, O,O-bis(2-ethoxyethyl) S-octyl ester, bis(2-ethoxyethoxy)-octan-2-yloxy-sulfanylidene-, O,O-Bis(2-ethoxyethyl) O-octan-2-yl phosphorothioate, O,O-Bis(2-ethoxyethyl) O-(octan-2-yl) phosphorothioate
| Molecular Formula | C16H35O5PS |
|---|---|
| Molecular Weight | 370.19 g/mol |
| LogP | 4.6926 |
| Topological Polar Surface Area | 46.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 370.19427 |
| Heavy Atoms | 23 |
| Complexity | 288.1952 |
Chemical Identifiers
| CAS Number | 72197-94-5 |
|---|---|
| SMILES | CCCCCCC(C)OP(=S)(OCCOCC)OCCOCC |
Product Overview
Phosphorothioic acid, O,O-bis(2-ethoxyethyl) S-octyl ester (CAS 72197-94-5), with molecular formula C16H35O5PS and molecular weight 370.19 g/mol. IUPAC: bis(2-ethoxyethoxy)-octan-2-yloxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-bis(2-ethoxyethyl) S-octyl ester
Property Insights of Phosphorothioic acid, O,O-bis(2-ethoxyethyl) S-octyl ester
The XLogP value of 4.6926 indicates that Phosphorothioic acid, O,O-bis(2-ethoxyethyl) S-octyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.15 Ų, Phosphorothioic acid, O,O-bis(2-ethoxyethyl) S-octyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-bis(2-ethoxyethyl) S-octyl ester 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 Phosphorothioic acid, O,O-bis(2-ethoxyethyl) S-octyl ester?
The CAS number of Phosphorothioic acid, O,O-bis(2-ethoxyethyl) S-octyl ester is 72197-94-5.
What is the molecular formula of Phosphorothioic acid, O,O-bis(2-ethoxyethyl) S-octyl ester?
The molecular formula of Phosphorothioic acid, O,O-bis(2-ethoxyethyl) S-octyl ester is C16H35O5PS.
What is the molecular weight of Phosphorothioic acid, O,O-bis(2-ethoxyethyl) S-octyl ester?
The molecular weight of Phosphorothioic acid, O,O-bis(2-ethoxyethyl) S-octyl ester is 370.19 g/mol.
Where can I buy Phosphorothioic acid, O,O-bis(2-ethoxyethyl) S-octyl ester?
You can request a quote for Phosphorothioic acid, O,O-bis(2-ethoxyethyl) S-octyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, O,O-bis(2-ethoxyethyl) S-octyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-bis(2-ethoxyethyl) S-octyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.