4-(2,2,2-Tri-CL-1-HO-ethylamino)-6-trichloromethyl-5,6-2H-(1,3,5)oxadiazin-2-one
TL;DR: 4-(2,2,2-Tri-CL-1-HO-ethylamino)-6-trichloromethyl-5,6-2H-(1,3,5)oxadiazin-2-one (CAS 321976-41-4) is a chemical compound with molecular formula C6H5Cl6N3O3 and molecular weight 376.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,2,2-trichloro-1-hydroxyethyl)amino]-2-(trichloromethyl)-2,5-dihydro-1,3,5-oxadiazin-6-one
Also Known As: 4-(2,2,2-TRI-CL-1-HO-ETHYLAMINO)-6-TRICHLOROMETHYL-5,6-2H-(1,3,5)OXADIAZIN-2-ONE, 4-(2,2,2-Trichloro-1-hydroxy-ethylamino)-6-trichloromethyl-5,6-dihydro-[1,3,5]oxadiazin-2-one, 4-[(2,2,2-trichloro-1-hydroxy-ethyl)amino]-6-(trichloromethyl)-3,6-dihydro-1,3,5-oxadiazin-2-one, 4-[(2,2,2-trichloro-1-hydroxyethyl)amino]-2-(trichloromethyl)-2,5-dihydro-1,3,5-oxadiazin-6-one
| Molecular Formula | C6H5Cl6N3O3 |
|---|---|
| Molecular Weight | 376.85 g/mol |
| LogP | 2.0567 |
| Topological Polar Surface Area | 82.95 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 376.84622 |
| Heavy Atoms | 18 |
| Complexity | 364.5596 |
Chemical Identifiers
| CAS Number | 321976-41-4 |
|---|---|
| SMILES | C1(N=C(NC(=O)O1)NC(C(Cl)(Cl)Cl)O)C(Cl)(Cl)Cl |
Product Overview
4-(2,2,2-Tri-CL-1-HO-ethylamino)-6-trichloromethyl-5,6-2H-(1,3,5)oxadiazin-2-one (CAS 321976-41-4), with molecular formula C6H5Cl6N3O3 and molecular weight 376.85 g/mol. IUPAC: 4-[(2,2,2-trichloro-1-hydroxyethyl)amino]-2-(trichloromethyl)-2,5-dihydro-1,3,5-oxadiazin-6-one.
Chemical Property Profile of 4-(2,2,2-Tri-CL-1-HO-ethylamino)-6-trichloromethyl-5,6-2H-(1,3,5)oxadiazin-2-one
Property Insights of 4-(2,2,2-Tri-CL-1-HO-ethylamino)-6-trichloromethyl-5,6-2H-(1,3,5)oxadiazin-2-one
The XLogP value of 2.0567 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,2,2-Tri-CL-1-HO-ethylamino)-6-trichloromethyl-5,6-2H-(1,3,5)oxadiazin-2-one. The TPSA of 82.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,2,2-Tri-CL-1-HO-ethylamino)-6-trichloromethyl-5,6-2H-(1,3,5)oxadiazin-2-one. Following Lipinski's Rule of Five, 4-(2,2,2-Tri-CL-1-HO-ethylamino)-6-trichloromethyl-5,6-2H-(1,3,5)oxadiazin-2-one has 3 hydrogen bond donor(s) and 5 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 4-(2,2,2-Tri-CL-1-HO-ethylamino)-6-trichloromethyl-5,6-2H-(1,3,5)oxadiazin-2-one?
The CAS number of 4-(2,2,2-Tri-CL-1-HO-ethylamino)-6-trichloromethyl-5,6-2H-(1,3,5)oxadiazin-2-one is 321976-41-4.
What is the molecular formula of 4-(2,2,2-Tri-CL-1-HO-ethylamino)-6-trichloromethyl-5,6-2H-(1,3,5)oxadiazin-2-one?
The molecular formula of 4-(2,2,2-Tri-CL-1-HO-ethylamino)-6-trichloromethyl-5,6-2H-(1,3,5)oxadiazin-2-one is C6H5Cl6N3O3.
What is the molecular weight of 4-(2,2,2-Tri-CL-1-HO-ethylamino)-6-trichloromethyl-5,6-2H-(1,3,5)oxadiazin-2-one?
The molecular weight of 4-(2,2,2-Tri-CL-1-HO-ethylamino)-6-trichloromethyl-5,6-2H-(1,3,5)oxadiazin-2-one is 376.85 g/mol.
Where can I buy 4-(2,2,2-Tri-CL-1-HO-ethylamino)-6-trichloromethyl-5,6-2H-(1,3,5)oxadiazin-2-one?
You can request a quote for 4-(2,2,2-Tri-CL-1-HO-ethylamino)-6-trichloromethyl-5,6-2H-(1,3,5)oxadiazin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,2,2-Tri-CL-1-HO-ethylamino)-6-trichloromethyl-5,6-2H-(1,3,5)oxadiazin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,2,2-Tri-CL-1-HO-ethylamino)-6-trichloromethyl-5,6-2H-(1,3,5)oxadiazin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.