O-(2-(Acetyloxy)ethyl) S-butyl methylphosphonothioate
TL;DR: O-(2-(Acetyloxy)ethyl) S-butyl methylphosphonothioate (CAS 66957-41-3) is a chemical compound with molecular formula C9H19O4PS and molecular weight 254.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[butan-2-yloxy(methyl)phosphinothioyl]oxyethyl acetate
Also Known As: 2H-1,3-Benzoxazine,3,4-dihydro, O-(2-(Acetyloxy)ethyl) S-butyl methylphosphonothioate, 2-[butan-2-yloxy(methyl)phosphinothioyl]oxyethyl acetate, Phosphonothioic acid, methyl-, O-(2-(acetyloxy)ethyl) S-butyl ester, 2-(butan-2-yloxy-methyl-phosphinothioyl)oxyethyl acetate
| Molecular Formula | C9H19O4PS |
|---|---|
| Molecular Weight | 254.07 g/mol |
| LogP | 2.3205 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 254.07417 |
| Heavy Atoms | 15 |
| Complexity | 244.26685 |
Chemical Identifiers
| CAS Number | 66957-41-3 |
|---|---|
| SMILES | CCC(C)OP(=S)(C)OCCOC(=O)C |
Product Overview
O-(2-(Acetyloxy)ethyl) S-butyl methylphosphonothioate (CAS 66957-41-3), with molecular formula C9H19O4PS and molecular weight 254.07 g/mol. IUPAC: 2-[butan-2-yloxy(methyl)phosphinothioyl]oxyethyl acetate.
Chemical Property Profile of O-(2-(Acetyloxy)ethyl) S-butyl methylphosphonothioate
Property Insights of O-(2-(Acetyloxy)ethyl) S-butyl methylphosphonothioate
The XLogP value of 2.3205 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-(2-(Acetyloxy)ethyl) S-butyl methylphosphonothioate. With a topological polar surface area (TPSA) of 44.76 Ų, O-(2-(Acetyloxy)ethyl) S-butyl methylphosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(2-(Acetyloxy)ethyl) S-butyl methylphosphonothioate has 0 hydrogen bond donor(s) and 5 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-(2-(Acetyloxy)ethyl) S-butyl methylphosphonothioate?
The CAS number of O-(2-(Acetyloxy)ethyl) S-butyl methylphosphonothioate is 66957-41-3.
What is the molecular formula of O-(2-(Acetyloxy)ethyl) S-butyl methylphosphonothioate?
The molecular formula of O-(2-(Acetyloxy)ethyl) S-butyl methylphosphonothioate is C9H19O4PS.
What is the molecular weight of O-(2-(Acetyloxy)ethyl) S-butyl methylphosphonothioate?
The molecular weight of O-(2-(Acetyloxy)ethyl) S-butyl methylphosphonothioate is 254.07 g/mol.
Where can I buy O-(2-(Acetyloxy)ethyl) S-butyl methylphosphonothioate?
You can request a quote for O-(2-(Acetyloxy)ethyl) S-butyl methylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(2-(Acetyloxy)ethyl) S-butyl methylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(2-(Acetyloxy)ethyl) S-butyl methylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.