Bis(2-chloroethyl) phosphate
TL;DR: Bis(2-chloroethyl) phosphate (CAS 3040-56-0) is a chemical compound with molecular formula C4H9Cl2O4P and molecular weight 221.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-chloroethyl) hydrogen phosphate
Also Known As: bis(2-chloroethyl) phosphate, Bis(2-chloroethyl) hydrogen phosphate, bis hydrogenphosphate, BCEP, Ethanol, 2-chloro-, 1,1'-(hydrogen phosphate)
| Molecular Formula | C4H9Cl2O4P |
|---|---|
| Molecular Weight | 221.96 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 221.96155 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 3040-56-0 |
|---|---|
| SMILES | C(CCl)OP(=O)(O)OCCCl |
| InChIKey | PMGHIGLOERPWGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(2-chloroethyl) phosphate (CAS 3040-56-0), with molecular formula C4H9Cl2O4P and molecular weight 221.96 g/mol. IUPAC: bis(2-chloroethyl) hydrogen phosphate.
Chemical Property Profile of Bis(2-chloroethyl) phosphate
Property Insights of Bis(2-chloroethyl) phosphate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(2-chloroethyl) phosphate. With a topological polar surface area (TPSA) of 55.8 Ų, Bis(2-chloroethyl) phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2-chloroethyl) phosphate has 1 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 Bis(2-chloroethyl) phosphate?
The CAS number of Bis(2-chloroethyl) phosphate is 3040-56-0.
What is the molecular formula of Bis(2-chloroethyl) phosphate?
The molecular formula of Bis(2-chloroethyl) phosphate is C4H9Cl2O4P.
What is the molecular weight of Bis(2-chloroethyl) phosphate?
The molecular weight of Bis(2-chloroethyl) phosphate is 221.96 g/mol.
Where can I buy Bis(2-chloroethyl) phosphate?
You can request a quote for Bis(2-chloroethyl) phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-chloroethyl) phosphate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-chloroethyl) phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.