![1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[3-(tetrazol-2-yl)-1-adamantyl]ethanone structure](/static/products/6758/675827-16-4.webp)
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[3-(tetrazol-2-yl)-1-adamantyl]ethanone
TL;DR: 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[3-(tetrazol-2-yl)-1-adamantyl]ethanone (CAS 675827-16-4) is a chemical compound with molecular formula C18H23F3N6O2 and molecular weight 412.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[3-(tetrazol-2-yl)-1-adamantyl]ethanone
Also Known As: 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[3-(tetrazol-2-yl)-1-adamantyl]ethanone, 3-methyl-1-{[3-(2H-tetraazol-2-yl)-1-adamantyl]acetyl}-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol, 1-[5-HYDROXY-3-METHYL-5-(TRIFLUOROMETHYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-2-[3-(2H-1,2,3,4-TETRAAZOL-2-YL)-1-ADAMANTYL]-1-ETHANONE, 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[3-(2H-tetrazol-2-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl]ethanone
| Molecular Formula | C18H23F3N6O2 |
|---|---|
| Molecular Weight | 412.18 g/mol |
| LogP | 2.2178 |
| Topological Polar Surface Area | 96.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.18347 |
| Heavy Atoms | 29 |
| Complexity | 855.4475 |
Chemical Identifiers
| CAS Number | 675827-16-4 |
|---|---|
| SMILES | CC1=NN(C(C1)(C(F)(F)F)O)C(=O)CC23CC4CC(C2)CC(C4)(C3)N5N=CN=N5 |
Product Overview
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[3-(tetrazol-2-yl)-1-adamantyl]ethanone (CAS 675827-16-4), with molecular formula C18H23F3N6O2 and molecular weight 412.18 g/mol. IUPAC: 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[3-(tetrazol-2-yl)-1-adamantyl]ethanone.
Chemical Property Profile of 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[3-(tetrazol-2-yl)-1-adamantyl]ethanone
Property Insights of 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[3-(tetrazol-2-yl)-1-adamantyl]ethanone
The XLogP value of 2.2178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[3-(tetrazol-2-yl)-1-adamantyl]ethanone. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[3-(tetrazol-2-yl)-1-adamantyl]ethanone. Following Lipinski's Rule of Five, 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[3-(tetrazol-2-yl)-1-adamantyl]ethanone has 1 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 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[3-(tetrazol-2-yl)-1-adamantyl]ethanone?
The CAS number of 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[3-(tetrazol-2-yl)-1-adamantyl]ethanone is 675827-16-4.
What is the molecular formula of 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[3-(tetrazol-2-yl)-1-adamantyl]ethanone?
The molecular formula of 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[3-(tetrazol-2-yl)-1-adamantyl]ethanone is C18H23F3N6O2.
What is the molecular weight of 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[3-(tetrazol-2-yl)-1-adamantyl]ethanone?
The molecular weight of 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[3-(tetrazol-2-yl)-1-adamantyl]ethanone is 412.18 g/mol.
Where can I buy 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[3-(tetrazol-2-yl)-1-adamantyl]ethanone?
You can request a quote for 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[3-(tetrazol-2-yl)-1-adamantyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[3-(tetrazol-2-yl)-1-adamantyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[3-(tetrazol-2-yl)-1-adamantyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.