Phosphonothioic acid, methyl-, O-ethyl S-isopentyl ester
TL;DR: Phosphonothioic acid, methyl-, O-ethyl S-isopentyl ester (CAS 20845-72-1) is a chemical compound with molecular formula C8H19O2PS and molecular weight 210.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[ethoxy(methyl)phosphoryl]sulfanyl-3-methylbutane
Also Known As: o-Ethyl S-isopentyl methylphosphonothioate, o-Ethyl S-isopentyl methylphosphonothioate #, MethylphosphonothioicacidO-ethylS-isopentylester, ethyl methyl[(3-methylbutyl)sulfanyl]phosphinate, Phosphonothioic acid, methyl-, O-ethyl S-isopentyl ester
| Molecular Formula | C8H19O2PS |
|---|---|
| Molecular Weight | 210.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 210.08434 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 20845-72-1 |
|---|---|
| SMILES | CCOP(=O)(C)SCCC(C)C |
| InChIKey | QYBOTFBFXGUPCI-UHFFFAOYSA-N |
Product Overview
Phosphonothioic acid, methyl-, O-ethyl S-isopentyl ester (CAS 20845-72-1), with molecular formula C8H19O2PS and molecular weight 210.08 g/mol. IUPAC: 1-[ethoxy(methyl)phosphoryl]sulfanyl-3-methylbutane.
Chemical Property Profile of Phosphonothioic acid, methyl-, O-ethyl S-isopentyl ester
Property Insights of Phosphonothioic acid, methyl-, O-ethyl S-isopentyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonothioic acid, methyl-, O-ethyl S-isopentyl ester. With a topological polar surface area (TPSA) of 51.6 Ų, Phosphonothioic acid, methyl-, O-ethyl S-isopentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonothioic acid, methyl-, O-ethyl S-isopentyl ester 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 Phosphonothioic acid, methyl-, O-ethyl S-isopentyl ester?
The CAS number of Phosphonothioic acid, methyl-, O-ethyl S-isopentyl ester is 20845-72-1.
What is the molecular formula of Phosphonothioic acid, methyl-, O-ethyl S-isopentyl ester?
The molecular formula of Phosphonothioic acid, methyl-, O-ethyl S-isopentyl ester is C8H19O2PS.
What is the molecular weight of Phosphonothioic acid, methyl-, O-ethyl S-isopentyl ester?
The molecular weight of Phosphonothioic acid, methyl-, O-ethyl S-isopentyl ester is 210.08 g/mol.
Where can I buy Phosphonothioic acid, methyl-, O-ethyl S-isopentyl ester?
You can request a quote for Phosphonothioic acid, methyl-, O-ethyl S-isopentyl 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-, O-ethyl S-isopentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonothioic acid, methyl-, O-ethyl S-isopentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.