O-ethyl-S-hexyl-methylthiophosphonate
TL;DR: O-ethyl-S-hexyl-methylthiophosphonate (CAS 3675-87-4) 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.
1-[ethoxy(methyl)phosphoryl]sulfanylhexane
Also Known As: O-Ethyl-S-hexyl-methylthiophosphonate, LG 63, 1-[ethoxy(methyl)phosphoryl]sulfanylhexane, O-Ethyl S-hexyl methylphosphonothioate, Phosphonothioic acid, methyl-, O-ethyl S-hexyl ester
| Molecular Formula | C9H21O2PS |
|---|---|
| Molecular Weight | 224.10 g/mol |
| LogP | 4.1593 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 224.09999 |
| Heavy Atoms | 13 |
| Complexity | 161.6937 |
Chemical Identifiers
| CAS Number | 3675-87-4 |
|---|---|
| SMILES | CCCCCCSP(=O)(C)OCC |
Product Overview
O-ethyl-S-hexyl-methylthiophosphonate (CAS 3675-87-4), with molecular formula C9H21O2PS and molecular weight 224.10 g/mol. IUPAC: 1-[ethoxy(methyl)phosphoryl]sulfanylhexane.
Chemical Property Profile of O-ethyl-S-hexyl-methylthiophosphonate
Property Insights of O-ethyl-S-hexyl-methylthiophosphonate
The XLogP value of 4.1593 indicates that O-ethyl-S-hexyl-methylthiophosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, O-ethyl-S-hexyl-methylthiophosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-ethyl-S-hexyl-methylthiophosphonate 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-ethyl-S-hexyl-methylthiophosphonate?
The CAS number of O-ethyl-S-hexyl-methylthiophosphonate is 3675-87-4.
What is the molecular formula of O-ethyl-S-hexyl-methylthiophosphonate?
The molecular formula of O-ethyl-S-hexyl-methylthiophosphonate is C9H21O2PS.
What is the molecular weight of O-ethyl-S-hexyl-methylthiophosphonate?
The molecular weight of O-ethyl-S-hexyl-methylthiophosphonate is 224.10 g/mol.
Where can I buy O-ethyl-S-hexyl-methylthiophosphonate?
You can request a quote for O-ethyl-S-hexyl-methylthiophosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-ethyl-S-hexyl-methylthiophosphonate?
Yes, KEHONG BIO provides custom synthesis services for O-ethyl-S-hexyl-methylthiophosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.