Phosphonothioic acid, methyl-, S-(2-(butylsulfinyl)ethyl) O-ethyl ester
TL;DR: Phosphonothioic acid, methyl-, S-(2-(butylsulfinyl)ethyl) O-ethyl ester (CAS 53151-70-5) is a chemical compound with molecular formula C9H21O3PS2 and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(S)-butylsulfinyl]ethoxy-ethoxy-methyl-sulfanylidene-λ5-phosphane
Also Known As: Phosphonothioic acid, methyl-, S-(2-(butylsulfinyl)ethyl) O-ethyl ester, O-[2-(Butane-1-sulfinyl)ethyl] O-ethyl methylphosphonothioate, 2-[(S)-butylsulfinyl]ethoxy-ethoxy-methyl-sulfanylidene-phosphorane, O-{2-[(S)-Butane-1-sulfinyl]ethyl} O-ethyl methylphosphonothioate
| Molecular Formula | C9H21O3PS2 |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 2.5276 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 272.067 |
| Heavy Atoms | 15 |
| Complexity | 233.39734 |
Chemical Identifiers
| CAS Number | 53151-70-5 |
|---|---|
| SMILES | CCCC[S@](=O)CCOP(=S)(C)OCC |
Product Overview
Phosphonothioic acid, methyl-, S-(2-(butylsulfinyl)ethyl) O-ethyl ester (CAS 53151-70-5), with molecular formula C9H21O3PS2 and molecular weight 272.07 g/mol. IUPAC: 2-[(S)-butylsulfinyl]ethoxy-ethoxy-methyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphonothioic acid, methyl-, S-(2-(butylsulfinyl)ethyl) O-ethyl ester
Property Insights of Phosphonothioic acid, methyl-, S-(2-(butylsulfinyl)ethyl) O-ethyl ester
The XLogP value of 2.5276 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonothioic acid, methyl-, S-(2-(butylsulfinyl)ethyl) O-ethyl ester. With a topological polar surface area (TPSA) of 35.53 Ų, Phosphonothioic acid, methyl-, S-(2-(butylsulfinyl)ethyl) O-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonothioic acid, methyl-, S-(2-(butylsulfinyl)ethyl) O-ethyl ester has 0 hydrogen bond donor(s) and 4 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 Phosphonothioic acid, methyl-, S-(2-(butylsulfinyl)ethyl) O-ethyl ester?
The CAS number of Phosphonothioic acid, methyl-, S-(2-(butylsulfinyl)ethyl) O-ethyl ester is 53151-70-5.
What is the molecular formula of Phosphonothioic acid, methyl-, S-(2-(butylsulfinyl)ethyl) O-ethyl ester?
The molecular formula of Phosphonothioic acid, methyl-, S-(2-(butylsulfinyl)ethyl) O-ethyl ester is C9H21O3PS2.
What is the molecular weight of Phosphonothioic acid, methyl-, S-(2-(butylsulfinyl)ethyl) O-ethyl ester?
The molecular weight of Phosphonothioic acid, methyl-, S-(2-(butylsulfinyl)ethyl) O-ethyl ester is 272.07 g/mol.
Where can I buy Phosphonothioic acid, methyl-, S-(2-(butylsulfinyl)ethyl) O-ethyl ester?
You can request a quote for Phosphonothioic acid, methyl-, S-(2-(butylsulfinyl)ethyl) O-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonothioic acid, methyl-, S-(2-(butylsulfinyl)ethyl) O-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonothioic acid, methyl-, S-(2-(butylsulfinyl)ethyl) O-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.