3-(2-Chloroethyl)-2-oxo-2-hydroxy-1,3,6,2-oxadiazaphosphonane
TL;DR: 3-(2-Chloroethyl)-2-oxo-2-hydroxy-1,3,6,2-oxadiazaphosphonane (CAS 158401-52-6) is a chemical compound with molecular formula C7H16ClN2O3P and molecular weight 242.0587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-chloroethyl)-2-hydroxy-1,3,6,2λ5-oxadiazaphosphonane 2-oxide
Also Known As: Cyclophosphamide Impurity D, 3-(2-Chloroethyl)-2-hydroxy-1,3,6,2-oxadiazaphosphonane 2-oxide, Cyclophosphamide USP Rc B, Cyclophosphamide EP Impurity D, Cyclophosphamide Related Compound B
Technical Specifications
| Molecular Formula | C7H16ClN2O3P |
| Molecular Weight | 242.0587 g/mol |
| XLogP | -2.8 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.0587 Da |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
| SMILES | C1CNCCN(P(=O)(OC1)O)CCCl |
| InChIKey | SIMWMEHPUXRDQD-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-Chloroethyl)-2-oxo-2-hydroxy-1,3,6,2-oxadiazaphosphonane
Property Insights of 3-(2-Chloroethyl)-2-oxo-2-hydroxy-1,3,6,2-oxadiazaphosphonane
The XLogP value of -2.8 indicates that 3-(2-Chloroethyl)-2-oxo-2-hydroxy-1,3,6,2-oxadiazaphosphonane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Chloroethyl)-2-oxo-2-hydroxy-1,3,6,2-oxadiazaphosphonane. Following Lipinski's Rule of Five, 3-(2-Chloroethyl)-2-oxo-2-hydroxy-1,3,6,2-oxadiazaphosphonane has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(2-Chloroethyl)-2-oxo-2-hydroxy-1,3,6,2-oxadiazaphosphonane?
The CAS number of 3-(2-Chloroethyl)-2-oxo-2-hydroxy-1,3,6,2-oxadiazaphosphonane is 158401-52-6.
What is the molecular formula of 3-(2-Chloroethyl)-2-oxo-2-hydroxy-1,3,6,2-oxadiazaphosphonane?
The molecular formula of 3-(2-Chloroethyl)-2-oxo-2-hydroxy-1,3,6,2-oxadiazaphosphonane is C7H16ClN2O3P.
What is the molecular weight of 3-(2-Chloroethyl)-2-oxo-2-hydroxy-1,3,6,2-oxadiazaphosphonane?
The molecular weight of 3-(2-Chloroethyl)-2-oxo-2-hydroxy-1,3,6,2-oxadiazaphosphonane is 242.0587 g/mol.
Where can I buy 3-(2-Chloroethyl)-2-oxo-2-hydroxy-1,3,6,2-oxadiazaphosphonane?
You can request a quote for 3-(2-Chloroethyl)-2-oxo-2-hydroxy-1,3,6,2-oxadiazaphosphonane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Chloroethyl)-2-oxo-2-hydroxy-1,3,6,2-oxadiazaphosphonane?
Yes, CoreyChem provides custom synthesis services for 3-(2-Chloroethyl)-2-oxo-2-hydroxy-1,3,6,2-oxadiazaphosphonane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.