O,O-dibutyl methylphosphonothioate
TL;DR: O,O-dibutyl methylphosphonothioate (CAS 18628-73-4) is a chemical compound with molecular formula C9H21O2PS and molecular weight 224.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutoxy-methyl-sulfanylidene-λ5-phosphane
Also Known As: O,O-dibutyl methylphosphonothioate, dibutoxy-methyl-sulfanylidene-, dibutoxy-methyl-sulfanylidene-lambda5-phosphane, Methylthiophosphonic acid O,O-dibutyl ester, J1.608.824B
| Molecular Formula | C9H21O2PS |
|---|---|
| Molecular Weight | 224.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 224.09999 |
| Heavy Atoms | 13 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 18628-73-4 |
|---|---|
| SMILES | CCCCOP(=S)(C)OCCCC |
| InChIKey | FCOHOEULLNQVHS-UHFFFAOYSA-N |
Product Overview
O,O-dibutyl methylphosphonothioate (CAS 18628-73-4), with molecular formula C9H21O2PS and molecular weight 224.10 g/mol. IUPAC: dibutoxy-methyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O,O-dibutyl methylphosphonothioate
Property Insights of O,O-dibutyl methylphosphonothioate
The XLogP value of 3.7 indicates that O,O-dibutyl methylphosphonothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, O,O-dibutyl methylphosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O,O-dibutyl methylphosphonothioate 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-dibutyl methylphosphonothioate?
The CAS number of O,O-dibutyl methylphosphonothioate is 18628-73-4.
What is the molecular formula of O,O-dibutyl methylphosphonothioate?
The molecular formula of O,O-dibutyl methylphosphonothioate is C9H21O2PS.
What is the molecular weight of O,O-dibutyl methylphosphonothioate?
The molecular weight of O,O-dibutyl methylphosphonothioate is 224.10 g/mol.
Where can I buy O,O-dibutyl methylphosphonothioate?
You can request a quote for O,O-dibutyl methylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,O-dibutyl methylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O,O-dibutyl methylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.