![1-[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]ethyl acetate structure](/static/products/3036/30362-45-9.webp)
1-[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]ethyl acetate
TL;DR: 1-[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]ethyl acetate (CAS 30362-45-9) is a chemical compound with molecular formula C9H7Cl6N3O2 and molecular weight 398.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]ethyl acetate
Also Known As: J1.613.799E, 1-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]ethyl acetate, ALPHA-METHYL-4,6-BIS(TRICHLOROMETHYL)-S-TRIAZI*, alpha-Methyl-4,6-bis(trichloromethyl)-s-triazine-2-methanol acetate
| Molecular Formula | C9H7Cl6N3O2 |
|---|---|
| Molecular Weight | 398.87 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.86398 |
| Heavy Atoms | 20 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 30362-45-9 |
|---|---|
| SMILES | CC(C1=NC(=NC(=N1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)OC(=O)C |
| InChIKey | SWCUSZMGXWZVHW-UHFFFAOYSA-N |
Product Overview
1-[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]ethyl acetate (CAS 30362-45-9), with molecular formula C9H7Cl6N3O2 and molecular weight 398.87 g/mol. IUPAC: 1-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]ethyl acetate.
Chemical Property Profile of 1-[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]ethyl acetate
Property Insights of 1-[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]ethyl acetate
The XLogP value of 3.4 indicates that 1-[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]ethyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]ethyl acetate. Following Lipinski's Rule of Five, 1-[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]ethyl acetate has 0 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 1-[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]ethyl acetate?
The CAS number of 1-[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]ethyl acetate is 30362-45-9.
What is the molecular formula of 1-[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]ethyl acetate?
The molecular formula of 1-[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]ethyl acetate is C9H7Cl6N3O2.
What is the molecular weight of 1-[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]ethyl acetate?
The molecular weight of 1-[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]ethyl acetate is 398.87 g/mol.
Where can I buy 1-[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]ethyl acetate?
You can request a quote for 1-[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]ethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]ethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]ethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.