Bis(2-chloroethyl) phosphonate
TL;DR: Bis(2-chloroethyl) phosphonate (CAS 1070-42-4) is a chemical compound with molecular formula C4H9Cl2O3P and molecular weight 205.96663 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2-chloroethyl) hydrogen phosphite
Also Known As: Bis(2-chloroethyl) phosphonate, Bis(2-chloroethyl)phosphite, bis(2-chloroethyl) hydrogen phosphite, Ethanol, 2-chloro-, phosphite (2:1), bis(2-chloro-ethyl) hydrogen phosphite
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H9Cl2O3P |
| Molecular Weight | 205.96663 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 205.96663 Da |
| Heavy Atoms | 10 |
| Complexity | 67.0 |
| SMILES | C(CCl)OP(O)OCCCl |
| InChIKey | GGCXLVWDCPTFMN-UHFFFAOYSA-N |
Chemical Property Profile of Bis(2-chloroethyl) phosphonate
Property Insights of Bis(2-chloroethyl) phosphonate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(2-chloroethyl) phosphonate. With a topological polar surface area (TPSA) of 38.7 Ų, Bis(2-chloroethyl) phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2-chloroethyl) phosphonate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Bis(2-chloroethyl) phosphonate?
The CAS number of Bis(2-chloroethyl) phosphonate is 1070-42-4.
What is the molecular formula of Bis(2-chloroethyl) phosphonate?
The molecular formula of Bis(2-chloroethyl) phosphonate is C4H9Cl2O3P.
What is the molecular weight of Bis(2-chloroethyl) phosphonate?
The molecular weight of Bis(2-chloroethyl) phosphonate is 205.96663 g/mol.
Where can I buy Bis(2-chloroethyl) phosphonate?
You can request a quote for Bis(2-chloroethyl) phosphonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bis(2-chloroethyl) phosphonate?
Yes, CoreyChem provides custom synthesis services for Bis(2-chloroethyl) phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.