Phosphoric acid, 2-chloropropyl 1,2-dibromo-2,2-dichloroethyl ethyl ester
TL;DR: Phosphoric acid, 2-chloropropyl 1,2-dibromo-2,2-dichloroethyl ethyl ester (CAS 64050-68-6) is a chemical compound with molecular formula C7H12Br2Cl3O4P and molecular weight 453.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloropropyl (1,2-dibromo-2,2-dichloroethyl) ethyl phosphate
Also Known As: Shell SD-7079, SD 7079, ENT 25,752, ENT 25,512, 2-Chloropropyl 1,2-dibromo-2,2-dichloroethyl ethyl phosphate
| Molecular Formula | C7H12Br2Cl3O4P |
|---|---|
| Molecular Weight | 453.79 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 455.7885 |
| Heavy Atoms | 17 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 64050-68-6 |
|---|---|
| SMILES | CCOP(=O)(OCCCCl)OC(C(Cl)(Cl)Br)Br |
| InChIKey | QHQZQPWXCNVOKK-UHFFFAOYSA-N |
Product Overview
Phosphoric acid, 2-chloropropyl 1,2-dibromo-2,2-dichloroethyl ethyl ester (CAS 64050-68-6), with molecular formula C7H12Br2Cl3O4P and molecular weight 453.79 g/mol. IUPAC: 3-chloropropyl (1,2-dibromo-2,2-dichloroethyl) ethyl phosphate.
Chemical Property Profile of Phosphoric acid, 2-chloropropyl 1,2-dibromo-2,2-dichloroethyl ethyl ester
Property Insights of Phosphoric acid, 2-chloropropyl 1,2-dibromo-2,2-dichloroethyl ethyl ester
The XLogP value of 3.8 indicates that Phosphoric acid, 2-chloropropyl 1,2-dibromo-2,2-dichloroethyl ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Phosphoric acid, 2-chloropropyl 1,2-dibromo-2,2-dichloroethyl ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoric acid, 2-chloropropyl 1,2-dibromo-2,2-dichloroethyl ethyl ester 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 Phosphoric acid, 2-chloropropyl 1,2-dibromo-2,2-dichloroethyl ethyl ester?
The CAS number of Phosphoric acid, 2-chloropropyl 1,2-dibromo-2,2-dichloroethyl ethyl ester is 64050-68-6.
What is the molecular formula of Phosphoric acid, 2-chloropropyl 1,2-dibromo-2,2-dichloroethyl ethyl ester?
The molecular formula of Phosphoric acid, 2-chloropropyl 1,2-dibromo-2,2-dichloroethyl ethyl ester is C7H12Br2Cl3O4P.
What is the molecular weight of Phosphoric acid, 2-chloropropyl 1,2-dibromo-2,2-dichloroethyl ethyl ester?
The molecular weight of Phosphoric acid, 2-chloropropyl 1,2-dibromo-2,2-dichloroethyl ethyl ester is 453.79 g/mol.
Where can I buy Phosphoric acid, 2-chloropropyl 1,2-dibromo-2,2-dichloroethyl ethyl ester?
You can request a quote for Phosphoric acid, 2-chloropropyl 1,2-dibromo-2,2-dichloroethyl ethyl 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, 2-chloropropyl 1,2-dibromo-2,2-dichloroethyl ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, 2-chloropropyl 1,2-dibromo-2,2-dichloroethyl ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.