![1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(4-nitrophenyl)ethanone structure](/static/products/3583/358355-83-6.webp)
1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(4-nitrophenyl)ethanone
TL;DR: 1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(4-nitrophenyl)ethanone (CAS 358355-83-6) is a chemical compound with molecular formula C16H16F3N3O4 and molecular weight 371.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-2-(4-nitrophenyl)ethanone
Also Known As: 1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(4-nitrophenyl)ethanone, 1-[3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-2-(4-nitrophenyl)ethanone, 1-(3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)-2-(4-nitrophenyl)ethanone, 1-(3-Hydroxy-3-trifluoromethyl-3,3a,4,5,6,7-hexahydro-indazol-2-yl)-2-(4-nitro-phenyl)-ethanone
| Molecular Formula | C16H16F3N3O4 |
|---|---|
| Molecular Weight | 371.11 g/mol |
| LogP | 2.7766 |
| Topological Polar Surface Area | 96.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.10928 |
| Heavy Atoms | 26 |
| Complexity | 762.99866 |
Chemical Identifiers
| CAS Number | 358355-83-6 |
|---|---|
| SMILES | C1CCC2=NN(C(C2C1)(C(F)(F)F)O)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(4-nitrophenyl)ethanone (CAS 358355-83-6), with molecular formula C16H16F3N3O4 and molecular weight 371.11 g/mol. IUPAC: 1-[3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-2-(4-nitrophenyl)ethanone.
Chemical Property Profile of 1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(4-nitrophenyl)ethanone
Property Insights of 1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(4-nitrophenyl)ethanone
The XLogP value of 2.7766 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(4-nitrophenyl)ethanone. The TPSA of 96.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(4-nitrophenyl)ethanone. Following Lipinski's Rule of Five, 1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(4-nitrophenyl)ethanone has 1 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-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(4-nitrophenyl)ethanone?
The CAS number of 1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(4-nitrophenyl)ethanone is 358355-83-6.
What is the molecular formula of 1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(4-nitrophenyl)ethanone?
The molecular formula of 1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(4-nitrophenyl)ethanone is C16H16F3N3O4.
What is the molecular weight of 1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(4-nitrophenyl)ethanone?
The molecular weight of 1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(4-nitrophenyl)ethanone is 371.11 g/mol.
Where can I buy 1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(4-nitrophenyl)ethanone?
You can request a quote for 1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(4-nitrophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(4-nitrophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(4-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.