4-Dodecylphenol hydrogen phosphoro-dithioate
TL;DR: 4-Dodecylphenol hydrogen phosphoro-dithioate (CAS 30304-41-7) is a chemical compound with molecular formula C36H59O2PS2 and molecular weight 618.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-dodecylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane
Also Known As: Bis(dodecylphenyl) hydrogen dithiophosphate, 4-Dodecylphenol hydrogen phosphoro-dithioate, Phenol, dodecyl-, 1,1'-(hydrogen phosphorodithioate), Phenol, dodecyl-, hydrogen phosphorodithioate, Phosphorodithioic acid, O,O-bis(dodecylphenyl) ester
| Molecular Formula | C36H59O2PS2 |
|---|---|
| Molecular Weight | 618.37 g/mol |
| LogP | 17.7 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 26 |
| Exact Mass | 618.3694 |
| Heavy Atoms | 41 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 30304-41-7 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC=C(C=C1)OP(=S)(OC2=CC=C(C=C2)CCCCCCCCCCCC)S |
| InChIKey | KIHVMOUITFPOEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Dodecylphenol hydrogen phosphoro-dithioate (CAS 30304-41-7), with molecular formula C36H59O2PS2 and molecular weight 618.37 g/mol. IUPAC: bis(4-dodecylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of 4-Dodecylphenol hydrogen phosphoro-dithioate
Property Insights of 4-Dodecylphenol hydrogen phosphoro-dithioate
The XLogP value of 17.7 indicates that 4-Dodecylphenol hydrogen phosphoro-dithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, 4-Dodecylphenol hydrogen phosphoro-dithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Dodecylphenol hydrogen phosphoro-dithioate has 1 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 4-Dodecylphenol hydrogen phosphoro-dithioate?
The CAS number of 4-Dodecylphenol hydrogen phosphoro-dithioate is 30304-41-7.
What is the molecular formula of 4-Dodecylphenol hydrogen phosphoro-dithioate?
The molecular formula of 4-Dodecylphenol hydrogen phosphoro-dithioate is C36H59O2PS2.
What is the molecular weight of 4-Dodecylphenol hydrogen phosphoro-dithioate?
The molecular weight of 4-Dodecylphenol hydrogen phosphoro-dithioate is 618.37 g/mol.
Where can I buy 4-Dodecylphenol hydrogen phosphoro-dithioate?
You can request a quote for 4-Dodecylphenol hydrogen phosphoro-dithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Dodecylphenol hydrogen phosphoro-dithioate?
Yes, KEHONG BIO provides custom synthesis services for 4-Dodecylphenol hydrogen phosphoro-dithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.