1,2-Dibromo-2,2-dichloroethyl methyl phenyl phosphate
TL;DR: 1,2-Dibromo-2,2-dichloroethyl methyl phenyl phosphate (CAS 2872-96-0) is a chemical compound with molecular formula C9H9Br2Cl2O4P and molecular weight 439.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,2-dibromo-2,2-dichloroethyl) methyl phenyl phosphate
Also Known As: Shell SD-6460, KST-1B2799, 1,2-Dibromo-2,2-dichloroethyl methyl phenyl phosphate, ENT 25,698, 1,2-dibromo-2,2-dichloroethylmethyl phenyl phosphate
| Molecular Formula | C9H9Br2Cl2O4P |
|---|---|
| Molecular Weight | 439.80 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.79617 |
| Heavy Atoms | 18 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 2872-96-0 |
|---|---|
| SMILES | COP(=O)(OC1=CC=CC=C1)OC(C(Cl)(Cl)Br)Br |
| InChIKey | OJZFHKHNSOWXOB-UHFFFAOYSA-N |
Product Overview
1,2-Dibromo-2,2-dichloroethyl methyl phenyl phosphate (CAS 2872-96-0), with molecular formula C9H9Br2Cl2O4P and molecular weight 439.80 g/mol. IUPAC: (1,2-dibromo-2,2-dichloroethyl) methyl phenyl phosphate.
Chemical Property Profile of 1,2-Dibromo-2,2-dichloroethyl methyl phenyl phosphate
Property Insights of 1,2-Dibromo-2,2-dichloroethyl methyl phenyl phosphate
The XLogP value of 4.3 indicates that 1,2-Dibromo-2,2-dichloroethyl methyl phenyl phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 1,2-Dibromo-2,2-dichloroethyl methyl phenyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dibromo-2,2-dichloroethyl methyl phenyl phosphate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-Dibromo-2,2-dichloroethyl methyl phenyl phosphate?
The CAS number of 1,2-Dibromo-2,2-dichloroethyl methyl phenyl phosphate is 2872-96-0.
What is the molecular formula of 1,2-Dibromo-2,2-dichloroethyl methyl phenyl phosphate?
The molecular formula of 1,2-Dibromo-2,2-dichloroethyl methyl phenyl phosphate is C9H9Br2Cl2O4P.
What is the molecular weight of 1,2-Dibromo-2,2-dichloroethyl methyl phenyl phosphate?
The molecular weight of 1,2-Dibromo-2,2-dichloroethyl methyl phenyl phosphate is 439.80 g/mol.
Where can I buy 1,2-Dibromo-2,2-dichloroethyl methyl phenyl phosphate?
You can request a quote for 1,2-Dibromo-2,2-dichloroethyl methyl phenyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dibromo-2,2-dichloroethyl methyl phenyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dibromo-2,2-dichloroethyl methyl phenyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.