O-Butan-2-yl O,O-bis(2-ethoxyethyl) phosphorothioate
TL;DR: O-Butan-2-yl O,O-bis(2-ethoxyethyl) phosphorothioate (CAS 72197-90-1) is a chemical compound with molecular formula C12H27O5PS and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yloxy-bis(2-ethoxyethoxy)-sulfanylidene-λ5-phosphane
Also Known As: S-Butyl O,O-bis(2-ethoxyethyl)phosphorothioate, O-Butan-2-yl O,O-bis(2-ethoxyethyl) phosphorothioate, Phosphorothioic acid, O,O-bis(2-ethoxyethyl) S-butyl ester, butan-2-yloxy-bis(2-ethoxyethoxy)-sulfanylidene-, O-(Butan-2-yl) O,O-bis(2-ethoxyethyl) phosphorothioate
| Molecular Formula | C12H27O5PS |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 3.1322 |
| Topological Polar Surface Area | 46.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 314.13168 |
| Heavy Atoms | 19 |
| Complexity | 236.27425 |
Chemical Identifiers
| CAS Number | 72197-90-1 |
|---|---|
| SMILES | CCC(C)OP(=S)(OCCOCC)OCCOCC |
Product Overview
O-Butan-2-yl O,O-bis(2-ethoxyethyl) phosphorothioate (CAS 72197-90-1), with molecular formula C12H27O5PS and molecular weight 314.13 g/mol. IUPAC: butan-2-yloxy-bis(2-ethoxyethoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-Butan-2-yl O,O-bis(2-ethoxyethyl) phosphorothioate
Property Insights of O-Butan-2-yl O,O-bis(2-ethoxyethyl) phosphorothioate
The XLogP value of 3.1322 indicates that O-Butan-2-yl O,O-bis(2-ethoxyethyl) 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-Butan-2-yl O,O-bis(2-ethoxyethyl) phosphorothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Butan-2-yl O,O-bis(2-ethoxyethyl) 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-Butan-2-yl O,O-bis(2-ethoxyethyl) phosphorothioate?
The CAS number of O-Butan-2-yl O,O-bis(2-ethoxyethyl) phosphorothioate is 72197-90-1.
What is the molecular formula of O-Butan-2-yl O,O-bis(2-ethoxyethyl) phosphorothioate?
The molecular formula of O-Butan-2-yl O,O-bis(2-ethoxyethyl) phosphorothioate is C12H27O5PS.
What is the molecular weight of O-Butan-2-yl O,O-bis(2-ethoxyethyl) phosphorothioate?
The molecular weight of O-Butan-2-yl O,O-bis(2-ethoxyethyl) phosphorothioate is 314.13 g/mol.
Where can I buy O-Butan-2-yl O,O-bis(2-ethoxyethyl) phosphorothioate?
You can request a quote for O-Butan-2-yl O,O-bis(2-ethoxyethyl) phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Butan-2-yl O,O-bis(2-ethoxyethyl) phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for O-Butan-2-yl O,O-bis(2-ethoxyethyl) phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.