O,O'-Diisopropyl 2-buten-1-ylphosphonothioate
TL;DR: O,O'-Diisopropyl 2-buten-1-ylphosphonothioate (CAS 20420-15-9) is a chemical compound with molecular formula C10H21O2PS and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-but-2-enyl]-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane
Also Known As: O,O'-Diisopropyl 2-buten-1-ylphosphonothioate, [(E)-but-2-enyl]-di(propan-2-yloxy)-sulfanylidene-
| Molecular Formula | C10H21O2PS |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 3.722 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 236.09999 |
| Heavy Atoms | 14 |
| Complexity | 210.16188 |
Chemical Identifiers
| CAS Number | 20420-15-9 |
|---|---|
| SMILES | C/C=C/CP(=S)(OC(C)C)OC(C)C |
Product Overview
O,O'-Diisopropyl 2-buten-1-ylphosphonothioate (CAS 20420-15-9), with molecular formula C10H21O2PS and molecular weight 236.10 g/mol. IUPAC: [(E)-but-2-enyl]-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O,O'-Diisopropyl 2-buten-1-ylphosphonothioate
Property Insights of O,O'-Diisopropyl 2-buten-1-ylphosphonothioate
The XLogP value of 3.722 indicates that O,O'-Diisopropyl 2-buten-1-ylphosphonothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.46 Ų, O,O'-Diisopropyl 2-buten-1-ylphosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O,O'-Diisopropyl 2-buten-1-ylphosphonothioate has 0 hydrogen bond donor(s) and 3 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'-Diisopropyl 2-buten-1-ylphosphonothioate?
The CAS number of O,O'-Diisopropyl 2-buten-1-ylphosphonothioate is 20420-15-9.
What is the molecular formula of O,O'-Diisopropyl 2-buten-1-ylphosphonothioate?
The molecular formula of O,O'-Diisopropyl 2-buten-1-ylphosphonothioate is C10H21O2PS.
What is the molecular weight of O,O'-Diisopropyl 2-buten-1-ylphosphonothioate?
The molecular weight of O,O'-Diisopropyl 2-buten-1-ylphosphonothioate is 236.10 g/mol.
Where can I buy O,O'-Diisopropyl 2-buten-1-ylphosphonothioate?
You can request a quote for O,O'-Diisopropyl 2-buten-1-ylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,O'-Diisopropyl 2-buten-1-ylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O,O'-Diisopropyl 2-buten-1-ylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.