Phosphoric acid, bis(2-chloroethyl) 2,3-dibromopropyl ester
TL;DR: Phosphoric acid, bis(2-chloroethyl) 2,3-dibromopropyl ester (CAS 114492-66-9) is a chemical compound with molecular formula C7H13Br2Cl2O4P and molecular weight 419.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-chloroethyl) 2,3-dibromopropyl phosphate
Also Known As: Bis(2-chloroethyl) 2,3-dibromopropyl phosphate, pyridine,4-(1,1-difluoroethyl), 2,3-Dibromopropyl bis(2-chloroethyl) phosphate, Phosphoric acid, bis(2-chloroethyl) 2,3-dibromopropyl ester, J1.558.941H
| Molecular Formula | C7H13Br2Cl2O4P |
|---|---|
| Molecular Weight | 419.83 g/mol |
| LogP | 3.7803 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 419.82953 |
| Heavy Atoms | 16 |
| Complexity | 210.5635 |
Chemical Identifiers
| CAS Number | 114492-66-9 |
|---|---|
| SMILES | C(CCl)OP(=O)(OCCCl)OCC(CBr)Br |
Product Overview
Phosphoric acid, bis(2-chloroethyl) 2,3-dibromopropyl ester (CAS 114492-66-9), with molecular formula C7H13Br2Cl2O4P and molecular weight 419.83 g/mol. IUPAC: bis(2-chloroethyl) 2,3-dibromopropyl phosphate.
Chemical Property Profile of Phosphoric acid, bis(2-chloroethyl) 2,3-dibromopropyl ester
Property Insights of Phosphoric acid, bis(2-chloroethyl) 2,3-dibromopropyl ester
The XLogP value of 3.7803 indicates that Phosphoric acid, bis(2-chloroethyl) 2,3-dibromopropyl 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, bis(2-chloroethyl) 2,3-dibromopropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoric acid, bis(2-chloroethyl) 2,3-dibromopropyl 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, bis(2-chloroethyl) 2,3-dibromopropyl ester?
The CAS number of Phosphoric acid, bis(2-chloroethyl) 2,3-dibromopropyl ester is 114492-66-9.
What is the molecular formula of Phosphoric acid, bis(2-chloroethyl) 2,3-dibromopropyl ester?
The molecular formula of Phosphoric acid, bis(2-chloroethyl) 2,3-dibromopropyl ester is C7H13Br2Cl2O4P.
What is the molecular weight of Phosphoric acid, bis(2-chloroethyl) 2,3-dibromopropyl ester?
The molecular weight of Phosphoric acid, bis(2-chloroethyl) 2,3-dibromopropyl ester is 419.83 g/mol.
Where can I buy Phosphoric acid, bis(2-chloroethyl) 2,3-dibromopropyl ester?
You can request a quote for Phosphoric acid, bis(2-chloroethyl) 2,3-dibromopropyl 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, bis(2-chloroethyl) 2,3-dibromopropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, bis(2-chloroethyl) 2,3-dibromopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.