Phosphonic acid, (1,1-dichloroethyl)-, bis(3-methyl-4-(methylthio)phenyl)ester
TL;DR: Phosphonic acid, (1,1-dichloroethyl)-, bis(3-methyl-4-(methylthio)phenyl)ester (CAS 76569-10-3) is a chemical compound with molecular formula C18H21Cl2O3PS2 and molecular weight 450.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1,1-dichloroethyl-(3-methyl-4-methylsulfanylphenoxy)phosphoryl]oxy-2-methyl-1-methylsulfanylbenzene
Also Known As: Phosphonic acid, (1,1-dichloroethyl)-, bis(3-methyl-4-(methylthio)phenyl)ester, Bis[3-methyl-4-(methylsulfanyl)phenyl] (1,1-dichloroethyl)phosphonate, 4-[1,1-dichloroethyl-(3-methyl-4-methylsulfanylphenoxy)phosphoryl]oxy-2-methyl-1-methylsulfanylbenzene
| Molecular Formula | C18H21Cl2O3PS2 |
|---|---|
| Molecular Weight | 450.00 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.00467 |
| Heavy Atoms | 26 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 76569-10-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OP(=O)(C(C)(Cl)Cl)OC2=CC(=C(C=C2)SC)C)SC |
| InChIKey | HCZWEOUPOLBUSS-UHFFFAOYSA-N |
Product Overview
Phosphonic acid, (1,1-dichloroethyl)-, bis(3-methyl-4-(methylthio)phenyl)ester (CAS 76569-10-3), with molecular formula C18H21Cl2O3PS2 and molecular weight 450.00 g/mol. IUPAC: 4-[1,1-dichloroethyl-(3-methyl-4-methylsulfanylphenoxy)phosphoryl]oxy-2-methyl-1-methylsulfanylbenzene.
Chemical Property Profile of Phosphonic acid, (1,1-dichloroethyl)-, bis(3-methyl-4-(methylthio)phenyl)ester
Property Insights of Phosphonic acid, (1,1-dichloroethyl)-, bis(3-methyl-4-(methylthio)phenyl)ester
The XLogP value of 6.5 indicates that Phosphonic acid, (1,1-dichloroethyl)-, bis(3-methyl-4-(methylthio)phenyl)ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, (1,1-dichloroethyl)-, bis(3-methyl-4-(methylthio)phenyl)ester. Following Lipinski's Rule of Five, Phosphonic acid, (1,1-dichloroethyl)-, bis(3-methyl-4-(methylthio)phenyl)ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphonic acid, (1,1-dichloroethyl)-, bis(3-methyl-4-(methylthio)phenyl)ester?
The CAS number of Phosphonic acid, (1,1-dichloroethyl)-, bis(3-methyl-4-(methylthio)phenyl)ester is 76569-10-3.
What is the molecular formula of Phosphonic acid, (1,1-dichloroethyl)-, bis(3-methyl-4-(methylthio)phenyl)ester?
The molecular formula of Phosphonic acid, (1,1-dichloroethyl)-, bis(3-methyl-4-(methylthio)phenyl)ester is C18H21Cl2O3PS2.
What is the molecular weight of Phosphonic acid, (1,1-dichloroethyl)-, bis(3-methyl-4-(methylthio)phenyl)ester?
The molecular weight of Phosphonic acid, (1,1-dichloroethyl)-, bis(3-methyl-4-(methylthio)phenyl)ester is 450.00 g/mol.
Where can I buy Phosphonic acid, (1,1-dichloroethyl)-, bis(3-methyl-4-(methylthio)phenyl)ester?
You can request a quote for Phosphonic acid, (1,1-dichloroethyl)-, bis(3-methyl-4-(methylthio)phenyl)ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, (1,1-dichloroethyl)-, bis(3-methyl-4-(methylthio)phenyl)ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, (1,1-dichloroethyl)-, bis(3-methyl-4-(methylthio)phenyl)ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.