RefChem:862744
TL;DR: RefChem:862744 (CAS 53461-82-8) is a chemical compound with molecular formula C12H24Cl4O9P2 and molecular weight 513.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[bis(2-chloroethoxy)phosphoryloxy]ethoxy]ethyl bis(2-chloroethyl) phosphate
Also Known As: Oxydiethylene tetrakis(2-chloroethyl) bisphosphate, Diethylene glycol tetra(2-chloroethyl)phosphate, Diethylene glycol bis(bis(2-chloroethyl)phosphate), Diethylene glycol bis[bis(2-chloroethyl)phosphate], Phosphoric acid, oxydi-2,1-ethanediyl tetrakis(2-chloroethyl) ester
| Molecular Formula | C12H24Cl4O9P2 |
|---|---|
| Molecular Weight | 513.96 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 98.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 20 |
| Exact Mass | 515.96204 |
| Heavy Atoms | 27 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 53461-82-8 |
|---|---|
| SMILES | C(COP(=O)(OCCCl)OCCCl)OCCOP(=O)(OCCCl)OCCCl |
| InChIKey | BKPSPVSDCLSBBK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:862744 (CAS 53461-82-8), with molecular formula C12H24Cl4O9P2 and molecular weight 513.96 g/mol. IUPAC: 2-[2-[bis(2-chloroethoxy)phosphoryloxy]ethoxy]ethyl bis(2-chloroethyl) phosphate.
Chemical Property Profile of RefChem:862744
Property Insights of RefChem:862744
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:862744. The TPSA of 98.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:862744. Following Lipinski's Rule of Five, RefChem:862744 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:862744?
The CAS number of RefChem:862744 is 53461-82-8.
What is the molecular formula of RefChem:862744?
The molecular formula of RefChem:862744 is C12H24Cl4O9P2.
What is the molecular weight of RefChem:862744?
The molecular weight of RefChem:862744 is 513.96 g/mol.
Where can I buy RefChem:862744?
You can request a quote for RefChem:862744 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:862744?
Yes, KEHONG BIO provides custom synthesis services for RefChem:862744 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.