4,6-Bis(trichloromethyl)-1,3,5-triazinan-2-one
TL;DR: 4,6-Bis(trichloromethyl)-1,3,5-triazinan-2-one (CAS 30805-36-8) is a chemical compound with molecular formula C5H5Cl6N3O and molecular weight 332.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-bis(trichloromethyl)-1,3,5-triazinan-2-one
Also Known As: 4,6-bis(trichloromethyl)-1,3,5-triazinan-2-one, J1.615.058D, 3,4,5,6-Tetrahydro-4,6-bis(trichloromethyl)-s-triazine-2(1H)-one, TETRAHYDRO-4,6-BIS(TRICHLOROMETHYL)-S-TRIAZIN-*-
| Molecular Formula | C5H5Cl6N3O |
|---|---|
| Molecular Weight | 332.86 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 53.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 334.85342 |
| Heavy Atoms | 15 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 30805-36-8 |
|---|---|
| SMILES | C1(NC(NC(=O)N1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl |
| InChIKey | OSSWSEJWIOTSNT-UHFFFAOYSA-N |
Product Overview
4,6-Bis(trichloromethyl)-1,3,5-triazinan-2-one (CAS 30805-36-8), with molecular formula C5H5Cl6N3O and molecular weight 332.86 g/mol. IUPAC: 4,6-bis(trichloromethyl)-1,3,5-triazinan-2-one.
Chemical Property Profile of 4,6-Bis(trichloromethyl)-1,3,5-triazinan-2-one
Property Insights of 4,6-Bis(trichloromethyl)-1,3,5-triazinan-2-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Bis(trichloromethyl)-1,3,5-triazinan-2-one. With a topological polar surface area (TPSA) of 53.2 Ų, 4,6-Bis(trichloromethyl)-1,3,5-triazinan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Bis(trichloromethyl)-1,3,5-triazinan-2-one has 3 hydrogen bond donor(s) and 2 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 4,6-Bis(trichloromethyl)-1,3,5-triazinan-2-one?
The CAS number of 4,6-Bis(trichloromethyl)-1,3,5-triazinan-2-one is 30805-36-8.
What is the molecular formula of 4,6-Bis(trichloromethyl)-1,3,5-triazinan-2-one?
The molecular formula of 4,6-Bis(trichloromethyl)-1,3,5-triazinan-2-one is C5H5Cl6N3O.
What is the molecular weight of 4,6-Bis(trichloromethyl)-1,3,5-triazinan-2-one?
The molecular weight of 4,6-Bis(trichloromethyl)-1,3,5-triazinan-2-one is 332.86 g/mol.
Where can I buy 4,6-Bis(trichloromethyl)-1,3,5-triazinan-2-one?
You can request a quote for 4,6-Bis(trichloromethyl)-1,3,5-triazinan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Bis(trichloromethyl)-1,3,5-triazinan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Bis(trichloromethyl)-1,3,5-triazinan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.