1-(Bis-aziridin-1-YL-phosphinothioyl)-2-trichloromethyl-4,5-dihydro-1H-imidazole
TL;DR: 1-(Bis-aziridin-1-YL-phosphinothioyl)-2-trichloromethyl-4,5-dihydro-1H-imidazole (CAS 109827-56-7) is a chemical compound with molecular formula C8H12Cl3N4PS and molecular weight 331.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(aziridin-1-yl)-sulfanylidene-[2-(trichloromethyl)-4,5-dihydroimidazol-1-yl]-λ5-phosphane
Also Known As: 1-(Di(1-aziridinyl)phosphorothioyl)-2-(trichloromethyl)-4,5-dihydro-1H-imidazole, Diaziran-1-yl[2-(trichloromethyl)-4,5-dihydro-1H-imidazol-1-yl]phosphine sulfide, 1-(BIS-AZIRIDIN-1-YL-PHOSPHINOTHIOYL)-2-TRICHLOROMETHYL-4,5-DIHYDRO-1H-IMIDAZOLE, di(aziridin-1-yl)(2-(trichloromethyl)-4,5-dihydro-1H-imidazol-1-yl)phosphine sulfide, diaziridinylphosphino[2-(trichloromethyl)(2-imidazolinyl)]-1-thione
| Molecular Formula | C8H12Cl3N4PS |
|---|---|
| Molecular Weight | 331.96 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 53.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.9586 |
| Heavy Atoms | 17 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 109827-56-7 |
|---|---|
| SMILES | C1CN(C(=N1)C(Cl)(Cl)Cl)P(=S)(N2CC2)N3CC3 |
| InChIKey | MJFTWFZZGOVVBT-UHFFFAOYSA-N |
Product Overview
1-(Bis-aziridin-1-YL-phosphinothioyl)-2-trichloromethyl-4,5-dihydro-1H-imidazole (CAS 109827-56-7), with molecular formula C8H12Cl3N4PS and molecular weight 331.96 g/mol. IUPAC: bis(aziridin-1-yl)-sulfanylidene-[2-(trichloromethyl)-4,5-dihydroimidazol-1-yl]-λ5-phosphane.
Chemical Property Profile of 1-(Bis-aziridin-1-YL-phosphinothioyl)-2-trichloromethyl-4,5-dihydro-1H-imidazole
Property Insights of 1-(Bis-aziridin-1-YL-phosphinothioyl)-2-trichloromethyl-4,5-dihydro-1H-imidazole
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Bis-aziridin-1-YL-phosphinothioyl)-2-trichloromethyl-4,5-dihydro-1H-imidazole. With a topological polar surface area (TPSA) of 53.7 Ų, 1-(Bis-aziridin-1-YL-phosphinothioyl)-2-trichloromethyl-4,5-dihydro-1H-imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Bis-aziridin-1-YL-phosphinothioyl)-2-trichloromethyl-4,5-dihydro-1H-imidazole 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
Frequently Asked Questions
What is the CAS number of 1-(Bis-aziridin-1-YL-phosphinothioyl)-2-trichloromethyl-4,5-dihydro-1H-imidazole?
The CAS number of 1-(Bis-aziridin-1-YL-phosphinothioyl)-2-trichloromethyl-4,5-dihydro-1H-imidazole is 109827-56-7.
What is the molecular formula of 1-(Bis-aziridin-1-YL-phosphinothioyl)-2-trichloromethyl-4,5-dihydro-1H-imidazole?
The molecular formula of 1-(Bis-aziridin-1-YL-phosphinothioyl)-2-trichloromethyl-4,5-dihydro-1H-imidazole is C8H12Cl3N4PS.
What is the molecular weight of 1-(Bis-aziridin-1-YL-phosphinothioyl)-2-trichloromethyl-4,5-dihydro-1H-imidazole?
The molecular weight of 1-(Bis-aziridin-1-YL-phosphinothioyl)-2-trichloromethyl-4,5-dihydro-1H-imidazole is 331.96 g/mol.
Where can I buy 1-(Bis-aziridin-1-YL-phosphinothioyl)-2-trichloromethyl-4,5-dihydro-1H-imidazole?
You can request a quote for 1-(Bis-aziridin-1-YL-phosphinothioyl)-2-trichloromethyl-4,5-dihydro-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Bis-aziridin-1-YL-phosphinothioyl)-2-trichloromethyl-4,5-dihydro-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(Bis-aziridin-1-YL-phosphinothioyl)-2-trichloromethyl-4,5-dihydro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.