Chlorodiazanonyl phosphate
TL;DR: Chlorodiazanonyl phosphate (CAS 45164-26-9) is a chemical compound with molecular formula C7H18ClN2O4P and molecular weight 260.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(2-chloroethylamino)ethylamino]propyl dihydrogen phosphate
Also Known As: Chlorodiazanonyl phosphate, Cyclophosphamide Impurity D, Cyclophosphamide Impurity 12, Cyclophosphamide Impurity 22, Chlorodiazanonyl phosphate [USP]
| Molecular Formula | C7H18ClN2O4P |
|---|---|
| Molecular Weight | 260.07 g/mol |
| LogP | -3.7 |
| Topological Polar Surface Area | 90.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 260.06927 |
| Heavy Atoms | 15 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 45164-26-9 |
|---|---|
| SMILES | C(CNCCNCCCl)COP(=O)(O)O |
| InChIKey | NXUYKLYPMPSVGA-UHFFFAOYSA-N |
Product Overview
Chlorodiazanonyl phosphate (CAS 45164-26-9), with molecular formula C7H18ClN2O4P and molecular weight 260.07 g/mol. IUPAC: 3-[2-(2-chloroethylamino)ethylamino]propyl dihydrogen phosphate.
Chemical Property Profile of Chlorodiazanonyl phosphate
Property Insights of Chlorodiazanonyl phosphate
The XLogP value of -3.7 indicates that Chlorodiazanonyl phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Chlorodiazanonyl phosphate. Following Lipinski's Rule of Five, Chlorodiazanonyl phosphate has 4 hydrogen bond donor(s) and 6 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 Chlorodiazanonyl phosphate?
The CAS number of Chlorodiazanonyl phosphate is 45164-26-9.
What is the molecular formula of Chlorodiazanonyl phosphate?
The molecular formula of Chlorodiazanonyl phosphate is C7H18ClN2O4P.
What is the molecular weight of Chlorodiazanonyl phosphate?
The molecular weight of Chlorodiazanonyl phosphate is 260.07 g/mol.
Where can I buy Chlorodiazanonyl phosphate?
You can request a quote for Chlorodiazanonyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorodiazanonyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Chlorodiazanonyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.