O,O-Bis(2-tert-butyl-5-methylphenyl) S-(ethoxycarbonyl) phosphorodithioate
TL;DR: O,O-Bis(2-tert-butyl-5-methylphenyl) S-(ethoxycarbonyl) phosphorodithioate (CAS 7405-03-0) is a chemical compound with molecular formula C25H35O4PS2 and molecular weight 494.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl bis(2-tert-butyl-5-methylphenoxy)phosphinothioylsulfanylformate
Also Known As: O,O-Bis(2-tert-butyl-5-methylphenyl) S-(ethoxycarbonyl) phosphorodithioate, ethyl bis(2-tert-butyl-5-methylphenoxy)phosphinothioylsulfanylformate, O,O-Bis(2-tert-butyl-5-methylphenyl) S-ethoxycarbonyl phosphorodithioate
| Molecular Formula | C25H35O4PS2 |
|---|---|
| Molecular Weight | 494.17 g/mol |
| LogP | 9.9 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 494.17145 |
| Heavy Atoms | 32 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 7405-03-0 |
|---|---|
| SMILES | CCOC(=O)SP(=S)(OC1=C(C=CC(=C1)C)C(C)(C)C)OC2=C(C=CC(=C2)C)C(C)(C)C |
| InChIKey | ZQQZZJJGNYNRDR-UHFFFAOYSA-N |
Product Overview
O,O-Bis(2-tert-butyl-5-methylphenyl) S-(ethoxycarbonyl) phosphorodithioate (CAS 7405-03-0), with molecular formula C25H35O4PS2 and molecular weight 494.17 g/mol. IUPAC: ethyl bis(2-tert-butyl-5-methylphenoxy)phosphinothioylsulfanylformate.
Chemical Property Profile of O,O-Bis(2-tert-butyl-5-methylphenyl) S-(ethoxycarbonyl) phosphorodithioate
Property Insights of O,O-Bis(2-tert-butyl-5-methylphenyl) S-(ethoxycarbonyl) phosphorodithioate
The XLogP value of 9.9 indicates that O,O-Bis(2-tert-butyl-5-methylphenyl) S-(ethoxycarbonyl) phosphorodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for O,O-Bis(2-tert-butyl-5-methylphenyl) S-(ethoxycarbonyl) phosphorodithioate. Following Lipinski's Rule of Five, O,O-Bis(2-tert-butyl-5-methylphenyl) S-(ethoxycarbonyl) phosphorodithioate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O,O-Bis(2-tert-butyl-5-methylphenyl) S-(ethoxycarbonyl) phosphorodithioate?
The CAS number of O,O-Bis(2-tert-butyl-5-methylphenyl) S-(ethoxycarbonyl) phosphorodithioate is 7405-03-0.
What is the molecular formula of O,O-Bis(2-tert-butyl-5-methylphenyl) S-(ethoxycarbonyl) phosphorodithioate?
The molecular formula of O,O-Bis(2-tert-butyl-5-methylphenyl) S-(ethoxycarbonyl) phosphorodithioate is C25H35O4PS2.
What is the molecular weight of O,O-Bis(2-tert-butyl-5-methylphenyl) S-(ethoxycarbonyl) phosphorodithioate?
The molecular weight of O,O-Bis(2-tert-butyl-5-methylphenyl) S-(ethoxycarbonyl) phosphorodithioate is 494.17 g/mol.
Where can I buy O,O-Bis(2-tert-butyl-5-methylphenyl) S-(ethoxycarbonyl) phosphorodithioate?
You can request a quote for O,O-Bis(2-tert-butyl-5-methylphenyl) S-(ethoxycarbonyl) phosphorodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,O-Bis(2-tert-butyl-5-methylphenyl) S-(ethoxycarbonyl) phosphorodithioate?
Yes, KEHONG BIO provides custom synthesis services for O,O-Bis(2-tert-butyl-5-methylphenyl) S-(ethoxycarbonyl) phosphorodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.