2-Chloroethyl dihydrogen phosphate
TL;DR: 2-Chloroethyl dihydrogen phosphate (CAS 68411-66-5) is a chemical compound with molecular formula C2H6ClO4P and molecular weight 159.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl dihydrogen phosphate
Also Known As: 2-chloroethyl dihydrogen phosphate, Amchem 66-329, 2-chloroethylphosphoric acid, (2-chloroethoxy)phosphonic acid, Phosphoric acid dihydrogen (2-chloroethyl) ester
| Molecular Formula | C2H6ClO4P |
|---|---|
| Molecular Weight | 159.97 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 159.96922 |
| Heavy Atoms | 8 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 68411-66-5 |
|---|---|
| SMILES | C(CCl)OP(=O)(O)O |
| InChIKey | ANHAEBWRQNIPEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloroethyl dihydrogen phosphate (CAS 68411-66-5), with molecular formula C2H6ClO4P and molecular weight 159.97 g/mol. IUPAC: 2-chloroethyl dihydrogen phosphate.
Chemical Property Profile of 2-Chloroethyl dihydrogen phosphate
Property Insights of 2-Chloroethyl dihydrogen phosphate
The XLogP value of -1.0 indicates that 2-Chloroethyl dihydrogen phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloroethyl dihydrogen phosphate. Following Lipinski's Rule of Five, 2-Chloroethyl dihydrogen phosphate has 2 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 2-Chloroethyl dihydrogen phosphate?
The CAS number of 2-Chloroethyl dihydrogen phosphate is 68411-66-5.
What is the molecular formula of 2-Chloroethyl dihydrogen phosphate?
The molecular formula of 2-Chloroethyl dihydrogen phosphate is C2H6ClO4P.
What is the molecular weight of 2-Chloroethyl dihydrogen phosphate?
The molecular weight of 2-Chloroethyl dihydrogen phosphate is 159.97 g/mol.
Where can I buy 2-Chloroethyl dihydrogen phosphate?
You can request a quote for 2-Chloroethyl dihydrogen phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl dihydrogen phosphate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl dihydrogen phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.