2,2-Dibromo-1,2-dichloroethyl dimethyl phosphate
TL;DR: 2,2-Dibromo-1,2-dichloroethyl dimethyl phosphate (CAS 64050-72-2) is a chemical compound with molecular formula C4H7Br2Cl2O4P and molecular weight 377.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dibromo-1,2-dichloroethyl) dimethyl phosphate
Also Known As: 2,2-Dibromo-1,2-dichloroethyl dimethyl phosphate, 2,2-dibromo-1,2-dichloroethyldimethyl phosphate, (2,2-dibromo-1,2-dichloroethyl) dimethyl phosphate, Phosphoric acid, 2,2-dibromo-1,2-dichloroethyl dimethyl ester, (2,2-Dibromo-1,2-dichloroethyl)dimethyl=phosphate
| Molecular Formula | C4H7Br2Cl2O4P |
|---|---|
| Molecular Weight | 377.78 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.78052 |
| Heavy Atoms | 13 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 64050-72-2 |
|---|---|
| SMILES | COP(=O)(OC)OC(C(Cl)(Br)Br)Cl |
| InChIKey | BAVBTSMRGZYBOQ-UHFFFAOYSA-N |
Product Overview
2,2-Dibromo-1,2-dichloroethyl dimethyl phosphate (CAS 64050-72-2), with molecular formula C4H7Br2Cl2O4P and molecular weight 377.78 g/mol. IUPAC: (2,2-dibromo-1,2-dichloroethyl) dimethyl phosphate.
Chemical Property Profile of 2,2-Dibromo-1,2-dichloroethyl dimethyl phosphate
Property Insights of 2,2-Dibromo-1,2-dichloroethyl dimethyl phosphate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dibromo-1,2-dichloroethyl dimethyl phosphate. With a topological polar surface area (TPSA) of 44.8 Ų, 2,2-Dibromo-1,2-dichloroethyl dimethyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dibromo-1,2-dichloroethyl dimethyl 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-dichloroethyl dimethyl phosphate?
The CAS number of 2,2-Dibromo-1,2-dichloroethyl dimethyl phosphate is 64050-72-2.
What is the molecular formula of 2,2-Dibromo-1,2-dichloroethyl dimethyl phosphate?
The molecular formula of 2,2-Dibromo-1,2-dichloroethyl dimethyl phosphate is C4H7Br2Cl2O4P.
What is the molecular weight of 2,2-Dibromo-1,2-dichloroethyl dimethyl phosphate?
The molecular weight of 2,2-Dibromo-1,2-dichloroethyl dimethyl phosphate is 377.78 g/mol.
Where can I buy 2,2-Dibromo-1,2-dichloroethyl dimethyl phosphate?
You can request a quote for 2,2-Dibromo-1,2-dichloroethyl dimethyl 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-dichloroethyl dimethyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dibromo-1,2-dichloroethyl dimethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.