O,O-Bis(2-ethoxyethyl) O-pentan-2-yl phosphorothioate
TL;DR: O,O-Bis(2-ethoxyethyl) O-pentan-2-yl phosphorothioate (CAS 72197-91-2) is a chemical compound with molecular formula C13H29O5PS and molecular weight 328.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-ethoxyethoxy)-pentan-2-yloxy-sulfanylidene-λ5-phosphane
Also Known As: O,O-Bis(2-ethoxyethyl) S-pentylphosphorothioate, Phosphorothioic acid, O,O-bis(2-ethoxyethyl) S-pentyl ester, bis(2-ethoxyethoxy)-pentan-2-yloxy-sulfanylidene-, O,O-BIS(2-ETHOXYETHYL) O-PENTAN-2-YL PHOSPHOROTHIOATE, O,O-Bis(2-ethoxyethyl) O-(pentan-2-yl) phosphorothioate
| Molecular Formula | C13H29O5PS |
|---|---|
| Molecular Weight | 328.15 g/mol |
| LogP | 3.5223 |
| Topological Polar Surface Area | 46.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 328.14734 |
| Heavy Atoms | 20 |
| Complexity | 249.14607 |
Chemical Identifiers
| CAS Number | 72197-91-2 |
|---|---|
| SMILES | CCCC(C)OP(=S)(OCCOCC)OCCOCC |
Product Overview
O,O-Bis(2-ethoxyethyl) O-pentan-2-yl phosphorothioate (CAS 72197-91-2), with molecular formula C13H29O5PS and molecular weight 328.15 g/mol. IUPAC: bis(2-ethoxyethoxy)-pentan-2-yloxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O,O-Bis(2-ethoxyethyl) O-pentan-2-yl phosphorothioate
Property Insights of O,O-Bis(2-ethoxyethyl) O-pentan-2-yl phosphorothioate
The XLogP value of 3.5223 indicates that O,O-Bis(2-ethoxyethyl) O-pentan-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-ethoxyethyl) O-pentan-2-yl phosphorothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O,O-Bis(2-ethoxyethyl) O-pentan-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-ethoxyethyl) O-pentan-2-yl phosphorothioate?
The CAS number of O,O-Bis(2-ethoxyethyl) O-pentan-2-yl phosphorothioate is 72197-91-2.
What is the molecular formula of O,O-Bis(2-ethoxyethyl) O-pentan-2-yl phosphorothioate?
The molecular formula of O,O-Bis(2-ethoxyethyl) O-pentan-2-yl phosphorothioate is C13H29O5PS.
What is the molecular weight of O,O-Bis(2-ethoxyethyl) O-pentan-2-yl phosphorothioate?
The molecular weight of O,O-Bis(2-ethoxyethyl) O-pentan-2-yl phosphorothioate is 328.15 g/mol.
Where can I buy O,O-Bis(2-ethoxyethyl) O-pentan-2-yl phosphorothioate?
You can request a quote for O,O-Bis(2-ethoxyethyl) O-pentan-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-ethoxyethyl) O-pentan-2-yl phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for O,O-Bis(2-ethoxyethyl) O-pentan-2-yl phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.