1-(Bis(1-aziridinyl)phosphinyl)hexahydro-1H-azepine
TL;DR: 1-(Bis(1-aziridinyl)phosphinyl)hexahydro-1H-azepine (CAS 18144-64-4) is a chemical compound with molecular formula C10H20N3OP and molecular weight 229.1344 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[bis(aziridin-1-yl)phosphoryl]azepane
Also Known As: 1-[bis(aziridin-1-yl)phosphoryl]azepane, KC 36, Diaziridinylhexamethyleneiminophosphine oxide, PHS 38, Hexahydroazepinylbis(aziridinyl)phosphine oxide
Technical Specifications
| Molecular Formula | C10H20N3OP |
| Molecular Weight | 229.1344 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.1344 Da |
| Heavy Atoms | 15 |
| Complexity | 264.0 |
| SMILES | C1CCCN(CC1)P(=O)(N2CC2)N3CC3 |
| InChIKey | ZCBLIQKVTTZLAH-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Bis(1-aziridinyl)phosphinyl)hexahydro-1H-azepine
Property Insights of 1-(Bis(1-aziridinyl)phosphinyl)hexahydro-1H-azepine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Bis(1-aziridinyl)phosphinyl)hexahydro-1H-azepine. With a topological polar surface area (TPSA) of 26.3 Ų, 1-(Bis(1-aziridinyl)phosphinyl)hexahydro-1H-azepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Bis(1-aziridinyl)phosphinyl)hexahydro-1H-azepine has 0 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 1-(Bis(1-aziridinyl)phosphinyl)hexahydro-1H-azepine?
The CAS number of 1-(Bis(1-aziridinyl)phosphinyl)hexahydro-1H-azepine is 18144-64-4.
What is the molecular formula of 1-(Bis(1-aziridinyl)phosphinyl)hexahydro-1H-azepine?
The molecular formula of 1-(Bis(1-aziridinyl)phosphinyl)hexahydro-1H-azepine is C10H20N3OP.
What is the molecular weight of 1-(Bis(1-aziridinyl)phosphinyl)hexahydro-1H-azepine?
The molecular weight of 1-(Bis(1-aziridinyl)phosphinyl)hexahydro-1H-azepine is 229.1344 g/mol.
Where can I buy 1-(Bis(1-aziridinyl)phosphinyl)hexahydro-1H-azepine?
You can request a quote for 1-(Bis(1-aziridinyl)phosphinyl)hexahydro-1H-azepine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Bis(1-aziridinyl)phosphinyl)hexahydro-1H-azepine?
Yes, CoreyChem provides custom synthesis services for 1-(Bis(1-aziridinyl)phosphinyl)hexahydro-1H-azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.