2,2-Dibromo-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate
TL;DR: 2,2-Dibromo-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate (CAS 42136-31-2) is a chemical compound with molecular formula C12H13Br2Cl2O4P and molecular weight 479.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2-dibromo-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate
Also Known As: Methanedisulfonyl fluoride, Phosphoric acid, 2,2-dibromo-1-(2,4-dichlorophenyl)ethenyl diethyl ester, [2,2-dibromo-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate, 2,2-Dibromo-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate, 2,2-Dibromo-1-(2,4-dichlorophenyl)ethen-1-yl diethyl phosphate
| Molecular Formula | C12H13Br2Cl2O4P |
|---|---|
| Molecular Weight | 479.83 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 479.82953 |
| Heavy Atoms | 21 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 42136-31-2 |
|---|---|
| SMILES | CCOP(=O)(OCC)OC(=C(Br)Br)C1=C(C=C(C=C1)Cl)Cl |
| InChIKey | CKESMWXQXWZWKV-UHFFFAOYSA-N |
Product Overview
2,2-Dibromo-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate (CAS 42136-31-2), with molecular formula C12H13Br2Cl2O4P and molecular weight 479.83 g/mol. IUPAC: [2,2-dibromo-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate.
Chemical Property Profile of 2,2-Dibromo-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate
Property Insights of 2,2-Dibromo-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate
The XLogP value of 4.1 indicates that 2,2-Dibromo-1-(2,4-dichlorophenyl)ethenyl diethyl 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, 2,2-Dibromo-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dibromo-1-(2,4-dichlorophenyl)ethenyl diethyl 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 2,2-Dibromo-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate?
The CAS number of 2,2-Dibromo-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate is 42136-31-2.
What is the molecular formula of 2,2-Dibromo-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate?
The molecular formula of 2,2-Dibromo-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate is C12H13Br2Cl2O4P.
What is the molecular weight of 2,2-Dibromo-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate?
The molecular weight of 2,2-Dibromo-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate is 479.83 g/mol.
Where can I buy 2,2-Dibromo-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate?
You can request a quote for 2,2-Dibromo-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dibromo-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dibromo-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.