Bis(2-chloroethyl) P-(2-chloroethyl)phosphonate
TL;DR: Bis(2-chloroethyl) P-(2-chloroethyl)phosphonate (CAS 6294-34-4) is a chemical compound with molecular formula C6H12Cl3O3P and molecular weight 267.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxyethane
Also Known As: Antiblage 78, Cinepaxadil, Bis(2-chloroethyl) (2-chloroethyl)phosphonate, Bis(2-chloroethyl) 2-chloroethylphosphonate, bis(ClEt) ClEt-phosphonate
| Molecular Formula | C6H12Cl3O3P |
|---|---|
| Molecular Weight | 267.96 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 267.95895 |
| Heavy Atoms | 13 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 6294-34-4 |
|---|---|
| SMILES | C(CCl)OP(=O)(CCCl)OCCCl |
| InChIKey | XXIDKSWYSYEFAG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(2-chloroethyl) P-(2-chloroethyl)phosphonate (CAS 6294-34-4), with molecular formula C6H12Cl3O3P and molecular weight 267.96 g/mol. IUPAC: 1-chloro-2-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxyethane.
Chemical Property Profile of Bis(2-chloroethyl) P-(2-chloroethyl)phosphonate
Property Insights of Bis(2-chloroethyl) P-(2-chloroethyl)phosphonate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(2-chloroethyl) P-(2-chloroethyl)phosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Bis(2-chloroethyl) P-(2-chloroethyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2-chloroethyl) P-(2-chloroethyl)phosphonate has 0 hydrogen bond donor(s) and 3 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) P-(2-chloroethyl)phosphonate?
The CAS number of Bis(2-chloroethyl) P-(2-chloroethyl)phosphonate is 6294-34-4.
What is the molecular formula of Bis(2-chloroethyl) P-(2-chloroethyl)phosphonate?
The molecular formula of Bis(2-chloroethyl) P-(2-chloroethyl)phosphonate is C6H12Cl3O3P.
What is the molecular weight of Bis(2-chloroethyl) P-(2-chloroethyl)phosphonate?
The molecular weight of Bis(2-chloroethyl) P-(2-chloroethyl)phosphonate is 267.96 g/mol.
Where can I buy Bis(2-chloroethyl) P-(2-chloroethyl)phosphonate?
You can request a quote for Bis(2-chloroethyl) P-(2-chloroethyl)phosphonate 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) P-(2-chloroethyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-chloroethyl) P-(2-chloroethyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.