Phosphorotrithioic acid, S,S,S-trioctyl ester
TL;DR: Phosphorotrithioic acid, S,S,S-trioctyl ester (CAS 3819-72-5) is a chemical compound with molecular formula C24H51OPS3 and molecular weight 482.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bis(octylsulfanyl)phosphorylsulfanyloctane
Also Known As: Octyl phosphorotrithioate, Phosphorotrithioic acid, S,S,S-trioctyl ester, S,S,S-Trioctyl phosphorotrithioate, 1-bis(octylsulfanyl)phosphorylsulfanyloctane
| Molecular Formula | C24H51OPS3 |
|---|---|
| Molecular Weight | 482.28 g/mol |
| LogP | 11.3756 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 24 |
| Exact Mass | 482.28397 |
| Heavy Atoms | 29 |
| Complexity | 313.73117 |
Chemical Identifiers
| CAS Number | 3819-72-5 |
|---|---|
| SMILES | CCCCCCCCSP(=O)(SCCCCCCCC)SCCCCCCCC |
Product Overview
Phosphorotrithioic acid, S,S,S-trioctyl ester (CAS 3819-72-5), with molecular formula C24H51OPS3 and molecular weight 482.28 g/mol. IUPAC: 1-bis(octylsulfanyl)phosphorylsulfanyloctane.
Chemical Property Profile of Phosphorotrithioic acid, S,S,S-trioctyl ester
Property Insights of Phosphorotrithioic acid, S,S,S-trioctyl ester
The XLogP value of 11.3756 indicates that Phosphorotrithioic acid, S,S,S-trioctyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Phosphorotrithioic acid, S,S,S-trioctyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorotrithioic acid, S,S,S-trioctyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphorotrithioic acid, S,S,S-trioctyl ester?
The CAS number of Phosphorotrithioic acid, S,S,S-trioctyl ester is 3819-72-5.
What is the molecular formula of Phosphorotrithioic acid, S,S,S-trioctyl ester?
The molecular formula of Phosphorotrithioic acid, S,S,S-trioctyl ester is C24H51OPS3.
What is the molecular weight of Phosphorotrithioic acid, S,S,S-trioctyl ester?
The molecular weight of Phosphorotrithioic acid, S,S,S-trioctyl ester is 482.28 g/mol.
Where can I buy Phosphorotrithioic acid, S,S,S-trioctyl ester?
You can request a quote for Phosphorotrithioic acid, S,S,S-trioctyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorotrithioic acid, S,S,S-trioctyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorotrithioic acid, S,S,S-trioctyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.