Phosphoric acid, 1-(4-bromo-2,5-dichlorophenyl)-2-chloroethenyl dimethyl ester
TL;DR: Phosphoric acid, 1-(4-bromo-2,5-dichlorophenyl)-2-chloroethenyl dimethyl ester (CAS 6412-76-6) is a chemical compound with molecular formula C10H9BrCl3O4P and molecular weight 407.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-1-(4-bromo-2,5-dichlorophenyl)-2-chloroethenyl] dimethyl phosphate
Also Known As: Shell SD 8972, SD 8972, ENT 27,021, AI3-27021, Phosphoric acid, 1-(4-bromo-2,5-dichlorophenyl)-2-chloroethenyl dimethyl ester
| Molecular Formula | C10H9BrCl3O4P |
|---|---|
| Molecular Weight | 407.85 g/mol |
| LogP | 5.7106 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.84875 |
| Heavy Atoms | 19 |
| Complexity | 541.8215 |
Chemical Identifiers
| CAS Number | 6412-76-6 |
|---|---|
| SMILES | COP(=O)(OC)O/C(=C/Cl)/C1=CC(=C(C=C1Cl)Br)Cl |
Product Overview
Phosphoric acid, 1-(4-bromo-2,5-dichlorophenyl)-2-chloroethenyl dimethyl ester (CAS 6412-76-6), with molecular formula C10H9BrCl3O4P and molecular weight 407.85 g/mol. IUPAC: [(E)-1-(4-bromo-2,5-dichlorophenyl)-2-chloroethenyl] dimethyl phosphate.
Chemical Property Profile of Phosphoric acid, 1-(4-bromo-2,5-dichlorophenyl)-2-chloroethenyl dimethyl ester
Property Insights of Phosphoric acid, 1-(4-bromo-2,5-dichlorophenyl)-2-chloroethenyl dimethyl ester
The XLogP value of 5.7106 indicates that Phosphoric acid, 1-(4-bromo-2,5-dichlorophenyl)-2-chloroethenyl dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, Phosphoric acid, 1-(4-bromo-2,5-dichlorophenyl)-2-chloroethenyl dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoric acid, 1-(4-bromo-2,5-dichlorophenyl)-2-chloroethenyl dimethyl 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 Phosphoric acid, 1-(4-bromo-2,5-dichlorophenyl)-2-chloroethenyl dimethyl ester?
The CAS number of Phosphoric acid, 1-(4-bromo-2,5-dichlorophenyl)-2-chloroethenyl dimethyl ester is 6412-76-6.
What is the molecular formula of Phosphoric acid, 1-(4-bromo-2,5-dichlorophenyl)-2-chloroethenyl dimethyl ester?
The molecular formula of Phosphoric acid, 1-(4-bromo-2,5-dichlorophenyl)-2-chloroethenyl dimethyl ester is C10H9BrCl3O4P.
What is the molecular weight of Phosphoric acid, 1-(4-bromo-2,5-dichlorophenyl)-2-chloroethenyl dimethyl ester?
The molecular weight of Phosphoric acid, 1-(4-bromo-2,5-dichlorophenyl)-2-chloroethenyl dimethyl ester is 407.85 g/mol.
Where can I buy Phosphoric acid, 1-(4-bromo-2,5-dichlorophenyl)-2-chloroethenyl dimethyl ester?
You can request a quote for Phosphoric acid, 1-(4-bromo-2,5-dichlorophenyl)-2-chloroethenyl dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoric acid, 1-(4-bromo-2,5-dichlorophenyl)-2-chloroethenyl dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, 1-(4-bromo-2,5-dichlorophenyl)-2-chloroethenyl dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.