2W-0811
TL;DR: 2W-0811 (CAS 861210-45-9) is a chemical compound with molecular formula C21H22F3N5O2 and molecular weight 433.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-hexyl-1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]triazole-4-carboxylate
Also Known As: 2W-0811, Methyl 5-hexyl-1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]triazole-4-carboxylate, methyl 5-hexyl-1-[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazole-4-carboxylate, methyl 5-hexyl-1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]-1H-1,2,3-triazole-4-carboxylate, methyl5-hexyl-1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]-1H-1,2,3-triazole-4-carboxylate
| Molecular Formula | C21H22F3N5O2 |
|---|---|
| Molecular Weight | 433.17 g/mol |
| LogP | 4.6525 |
| Topological Polar Surface Area | 82.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 433.17255 |
| Heavy Atoms | 31 |
| Complexity | 1035.2396 |
Chemical Identifiers
| CAS Number | 861210-45-9 |
|---|---|
| SMILES | CCCCCCC1=C(N=NN1C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3)C(=O)OC |
Product Overview
2W-0811 (CAS 861210-45-9), with molecular formula C21H22F3N5O2 and molecular weight 433.17 g/mol. IUPAC: methyl 5-hexyl-1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]triazole-4-carboxylate.
Chemical Property Profile of 2W-0811
Property Insights of 2W-0811
The XLogP value of 4.6525 indicates that 2W-0811 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 2W-0811. Following Lipinski's Rule of Five, 2W-0811 has 0 hydrogen bond donor(s) and 6 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 2W-0811?
The CAS number of 2W-0811 is 861210-45-9.
What is the molecular formula of 2W-0811?
The molecular formula of 2W-0811 is C21H22F3N5O2.
What is the molecular weight of 2W-0811?
The molecular weight of 2W-0811 is 433.17 g/mol.
Where can I buy 2W-0811?
You can request a quote for 2W-0811 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2W-0811?
Yes, KEHONG BIO provides custom synthesis services for 2W-0811 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.