4-Ketocyclophosphamide
TL;DR: 4-Ketocyclophosphamide (CAS 27046-19-1) is a chemical compound with molecular formula C7H13Cl2N2O3P and molecular weight 274.0041 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-4-one
Also Known As: 4-Ketocyclophosphamide, 4-Oxo Cyclophosphamide, Oxo-Endoxan, 4-Oxocyclophosphamide, Asta 5160
Technical Specifications
| Molecular Formula | C7H13Cl2N2O3P |
| Molecular Weight | 274.0041 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.0041 Da |
| Heavy Atoms | 15 |
| Complexity | 271.0 |
| SMILES | C1COP(=O)(NC1=O)N(CCCl)CCCl |
| InChIKey | VBMZHOCORXMDJU-UHFFFAOYSA-N |
Chemical Property Profile of 4-Ketocyclophosphamide
Property Insights of 4-Ketocyclophosphamide
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ketocyclophosphamide. With a topological polar surface area (TPSA) of 58.6 Ų, 4-Ketocyclophosphamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ketocyclophosphamide 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 4-Ketocyclophosphamide?
The CAS number of 4-Ketocyclophosphamide is 27046-19-1.
What is the molecular formula of 4-Ketocyclophosphamide?
The molecular formula of 4-Ketocyclophosphamide is C7H13Cl2N2O3P.
What is the molecular weight of 4-Ketocyclophosphamide?
The molecular weight of 4-Ketocyclophosphamide is 274.0041 g/mol.
Where can I buy 4-Ketocyclophosphamide?
You can request a quote for 4-Ketocyclophosphamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Ketocyclophosphamide?
Yes, CoreyChem provides custom synthesis services for 4-Ketocyclophosphamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.