6-Trifluoromethylcyclophosphamide
TL;DR: 6-Trifluoromethylcyclophosphamide (CAS 57165-71-6) is a chemical compound with molecular formula C8H14Cl2F3N2O2P and molecular weight 328.0122 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-bis(2-chloroethyl)-2-oxo-6-(trifluoromethyl)-1,3,2λ5-oxazaphosphinan-2-amine
Also Known As: 6-Trifluoromethylcyclophosphamide, 2-(Bis(2-chloroethyl)amino)-6-trifluoromethyltetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide, 2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(bis(2-chloroethyl)amino)-6-trifluoromethyl-, 2-oxide, N,N-bis(2-chloroethyl)-2-oxo-6-(trifluoromethyl)-1,3,2, N,N-bis(2-chloroethyl)-2-oxo-6-(trifluoromethyl)-1,3,2lambda5-oxa
Technical Specifications
| Molecular Formula | C8H14Cl2F3N2O2P |
| Molecular Weight | 328.0122 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.0122 Da |
| Heavy Atoms | 18 |
| Complexity | 313.0 |
| SMILES | C1CNP(=O)(OC1C(F)(F)F)N(CCCl)CCCl |
| InChIKey | KJCIGHRTQNBIGS-UHFFFAOYSA-N |
Chemical Property Profile of 6-Trifluoromethylcyclophosphamide
Property Insights of 6-Trifluoromethylcyclophosphamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Trifluoromethylcyclophosphamide. With a topological polar surface area (TPSA) of 41.6 Ų, 6-Trifluoromethylcyclophosphamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Trifluoromethylcyclophosphamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-Trifluoromethylcyclophosphamide?
The CAS number of 6-Trifluoromethylcyclophosphamide is 57165-71-6.
What is the molecular formula of 6-Trifluoromethylcyclophosphamide?
The molecular formula of 6-Trifluoromethylcyclophosphamide is C8H14Cl2F3N2O2P.
What is the molecular weight of 6-Trifluoromethylcyclophosphamide?
The molecular weight of 6-Trifluoromethylcyclophosphamide is 328.0122 g/mol.
Where can I buy 6-Trifluoromethylcyclophosphamide?
You can request a quote for 6-Trifluoromethylcyclophosphamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Trifluoromethylcyclophosphamide?
Yes, CoreyChem provides custom synthesis services for 6-Trifluoromethylcyclophosphamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.