Phosphonothioic acid, methyl-, S-(7,7-dimethyloctyl) O-ethyl ester
TL;DR: Phosphonothioic acid, methyl-, S-(7,7-dimethyloctyl) O-ethyl ester (CAS 1068-39-9) is a chemical compound with molecular formula C13H29O2PS and molecular weight 280.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[ethoxy(methyl)phosphoryl]sulfanyl-7,7-dimethyloctane
Also Known As: LG 87, Phosphonothioic acid, methyl-, S-(7,7-dimethyloctyl) O-ethyl ester, S-(7,7-Dimethyloctyl) O-ethyl methylphosphonothioate, 1-[ethoxy(methyl)phosphoryl]sulfanyl-7,7-dimethyloctane
| Molecular Formula | C13H29O2PS |
|---|---|
| Molecular Weight | 280.16 g/mol |
| LogP | 5.5756 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 280.1626 |
| Heavy Atoms | 17 |
| Complexity | 236.0642 |
Chemical Identifiers
| CAS Number | 1068-39-9 |
|---|---|
| SMILES | CCOP(=O)(C)SCCCCCCC(C)(C)C |
Product Overview
Phosphonothioic acid, methyl-, S-(7,7-dimethyloctyl) O-ethyl ester (CAS 1068-39-9), with molecular formula C13H29O2PS and molecular weight 280.16 g/mol. IUPAC: 1-[ethoxy(methyl)phosphoryl]sulfanyl-7,7-dimethyloctane.
Chemical Property Profile of Phosphonothioic acid, methyl-, S-(7,7-dimethyloctyl) O-ethyl ester
Property Insights of Phosphonothioic acid, methyl-, S-(7,7-dimethyloctyl) O-ethyl ester
The XLogP value of 5.5756 indicates that Phosphonothioic acid, methyl-, S-(7,7-dimethyloctyl) O-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Phosphonothioic acid, methyl-, S-(7,7-dimethyloctyl) O-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonothioic acid, methyl-, S-(7,7-dimethyloctyl) O-ethyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphonothioic acid, methyl-, S-(7,7-dimethyloctyl) O-ethyl ester?
The CAS number of Phosphonothioic acid, methyl-, S-(7,7-dimethyloctyl) O-ethyl ester is 1068-39-9.
What is the molecular formula of Phosphonothioic acid, methyl-, S-(7,7-dimethyloctyl) O-ethyl ester?
The molecular formula of Phosphonothioic acid, methyl-, S-(7,7-dimethyloctyl) O-ethyl ester is C13H29O2PS.
What is the molecular weight of Phosphonothioic acid, methyl-, S-(7,7-dimethyloctyl) O-ethyl ester?
The molecular weight of Phosphonothioic acid, methyl-, S-(7,7-dimethyloctyl) O-ethyl ester is 280.16 g/mol.
Where can I buy Phosphonothioic acid, methyl-, S-(7,7-dimethyloctyl) O-ethyl ester?
You can request a quote for Phosphonothioic acid, methyl-, S-(7,7-dimethyloctyl) 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-(7,7-dimethyloctyl) O-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonothioic acid, methyl-, S-(7,7-dimethyloctyl) O-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.