o-Ethyl S-nonyl methylphosphonothioate
TL;DR: o-Ethyl S-nonyl methylphosphonothioate (CAS 13088-89-6) is a chemical compound with molecular formula C12H27O2PS and molecular weight 266.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[ethoxy(methyl)phosphoryl]sulfanylnonane
Also Known As: o-Ethyl S-nonyl methylphosphonothioate, o-Ethyl S-nonyl methylphosphonothiolate, 1-[ethoxy(methyl)phosphoryl]sulfanylnonane, o-Ethyl S-nonyl methylphosphonothioate #, Phosphonothioic acid, methyl-, O-ethyl S-nonyl ester
| Molecular Formula | C12H27O2PS |
|---|---|
| Molecular Weight | 266.15 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 266.14694 |
| Heavy Atoms | 16 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 13088-89-6 |
|---|---|
| SMILES | CCCCCCCCCSP(=O)(C)OCC |
| InChIKey | AMXPHGZPXNYMOA-UHFFFAOYSA-N |
Product Overview
o-Ethyl S-nonyl methylphosphonothioate (CAS 13088-89-6), with molecular formula C12H27O2PS and molecular weight 266.15 g/mol. IUPAC: 1-[ethoxy(methyl)phosphoryl]sulfanylnonane.
Chemical Property Profile of o-Ethyl S-nonyl methylphosphonothioate
Property Insights of o-Ethyl S-nonyl methylphosphonothioate
The XLogP value of 4.2 indicates that o-Ethyl S-nonyl methylphosphonothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, o-Ethyl S-nonyl methylphosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Ethyl S-nonyl 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-Ethyl S-nonyl methylphosphonothioate?
The CAS number of o-Ethyl S-nonyl methylphosphonothioate is 13088-89-6.
What is the molecular formula of o-Ethyl S-nonyl methylphosphonothioate?
The molecular formula of o-Ethyl S-nonyl methylphosphonothioate is C12H27O2PS.
What is the molecular weight of o-Ethyl S-nonyl methylphosphonothioate?
The molecular weight of o-Ethyl S-nonyl methylphosphonothioate is 266.15 g/mol.
Where can I buy o-Ethyl S-nonyl methylphosphonothioate?
You can request a quote for o-Ethyl S-nonyl methylphosphonothioate 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-nonyl methylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for o-Ethyl S-nonyl methylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.