Bis(2-chloroethyl)(trichloromethyl)phosphonate
TL;DR: Bis(2-chloroethyl)(trichloromethyl)phosphonate (CAS 23055-16-5) is a chemical compound with molecular formula C5H8Cl5O3P and molecular weight 321.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-[2-chloroethoxy(trichloromethyl)phosphoryl]oxyethane
Also Known As: bis(2-chloroethyl)(trichloromethyl)phosphonate, bis(2-chloroethyl) (trichloromethyl)phosphonate, 1-chloro-2-[2-chloroethoxy(trichloromethyl)phosphoryl]oxyethane, 1-chloro-2-[2-chloroethoxy(trichloromethyl)phosphoryl]oxyeth, Phosphonic acid,(trichloromethyl)-, bis(2-chloroethyl) ester (8CI,9CI)
| Molecular Formula | C5H8Cl5O3P |
|---|---|
| Molecular Weight | 321.87 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.86536 |
| Heavy Atoms | 14 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 23055-16-5 |
|---|---|
| SMILES | C(CCl)OP(=O)(C(Cl)(Cl)Cl)OCCCl |
| InChIKey | UMNMOMQQAZKRSL-UHFFFAOYSA-N |
Product Overview
Bis(2-chloroethyl)(trichloromethyl)phosphonate (CAS 23055-16-5), with molecular formula C5H8Cl5O3P and molecular weight 321.87 g/mol. IUPAC: 1-chloro-2-[2-chloroethoxy(trichloromethyl)phosphoryl]oxyethane.
Chemical Property Profile of Bis(2-chloroethyl)(trichloromethyl)phosphonate
Property Insights of Bis(2-chloroethyl)(trichloromethyl)phosphonate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(2-chloroethyl)(trichloromethyl)phosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Bis(2-chloroethyl)(trichloromethyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2-chloroethyl)(trichloromethyl)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)(trichloromethyl)phosphonate?
The CAS number of Bis(2-chloroethyl)(trichloromethyl)phosphonate is 23055-16-5.
What is the molecular formula of Bis(2-chloroethyl)(trichloromethyl)phosphonate?
The molecular formula of Bis(2-chloroethyl)(trichloromethyl)phosphonate is C5H8Cl5O3P.
What is the molecular weight of Bis(2-chloroethyl)(trichloromethyl)phosphonate?
The molecular weight of Bis(2-chloroethyl)(trichloromethyl)phosphonate is 321.87 g/mol.
Where can I buy Bis(2-chloroethyl)(trichloromethyl)phosphonate?
You can request a quote for Bis(2-chloroethyl)(trichloromethyl)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)(trichloromethyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-chloroethyl)(trichloromethyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.