Dechloroethylifosfamide
TL;DR: Dechloroethylifosfamide (CAS 53459-55-5) is a chemical compound with molecular formula C5H12ClN2O2P and molecular weight 198.03249 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine
Also Known As: 2-Dechloroethylifosfamide, Dechloroethylifosfamide, 2-Dclif, 2-Dce-iff, N-Dechloroethylifosfamide
Technical Specifications
| Molecular Formula | C5H12ClN2O2P |
| Molecular Weight | 198.03249 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.03249 Da |
| Heavy Atoms | 11 |
| Complexity | 178.0 |
| SMILES | C1CN(P(=O)(OC1)N)CCCl |
| InChIKey | ROGLJLJCDSTWBN-UHFFFAOYSA-N |
Chemical Property Profile of Dechloroethylifosfamide
Property Insights of Dechloroethylifosfamide
The XLogP value of -0.2 indicates that Dechloroethylifosfamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.6 Ų, Dechloroethylifosfamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dechloroethylifosfamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Dechloroethylifosfamide?
The CAS number of Dechloroethylifosfamide is 53459-55-5.
What is the molecular formula of Dechloroethylifosfamide?
The molecular formula of Dechloroethylifosfamide is C5H12ClN2O2P.
What is the molecular weight of Dechloroethylifosfamide?
The molecular weight of Dechloroethylifosfamide is 198.03249 g/mol.
Where can I buy Dechloroethylifosfamide?
You can request a quote for Dechloroethylifosfamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dechloroethylifosfamide?
Yes, CoreyChem provides custom synthesis services for Dechloroethylifosfamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.