![2-(4-chloro-3-methylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone structure](/static/products/4332/433243-47-1.webp)
2-(4-chloro-3-methylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone
TL;DR: 2-(4-chloro-3-methylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone (CAS 433243-47-1) is a chemical compound with molecular formula C17H18ClF3N2O3 and molecular weight 390.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-3-methylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]ethanone
Also Known As: 2-(4-chloro-3-methylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone, 2-(4-chloro-3-methylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]ethanone, 2-(4-CHLORO-3-METHYLPHENOXY)-1-[3-HYDROXY-3-(TRIFLUOROMETHYL)-3,3A,4,5,6,7-HEXAHYDRO-2H-INDAZOL-2-YL]ETHAN-1-ONE
| Molecular Formula | C17H18ClF3N2O3 |
|---|---|
| Molecular Weight | 390.10 g/mol |
| LogP | 3.66652 |
| Topological Polar Surface Area | 62.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 390.0958 |
| Heavy Atoms | 26 |
| Complexity | 753.2589 |
Chemical Identifiers
| CAS Number | 433243-47-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC(=O)N2C(C3CCCCC3=N2)(C(F)(F)F)O)Cl |
Product Overview
2-(4-chloro-3-methylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone (CAS 433243-47-1), with molecular formula C17H18ClF3N2O3 and molecular weight 390.10 g/mol. IUPAC: 2-(4-chloro-3-methylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]ethanone.
Chemical Property Profile of 2-(4-chloro-3-methylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone
Property Insights of 2-(4-chloro-3-methylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone
The XLogP value of 3.66652 indicates that 2-(4-chloro-3-methylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chloro-3-methylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone. Following Lipinski's Rule of Five, 2-(4-chloro-3-methylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone has 1 hydrogen bond donor(s) and 4 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 2-(4-chloro-3-methylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone?
The CAS number of 2-(4-chloro-3-methylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone is 433243-47-1.
What is the molecular formula of 2-(4-chloro-3-methylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone?
The molecular formula of 2-(4-chloro-3-methylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone is C17H18ClF3N2O3.
What is the molecular weight of 2-(4-chloro-3-methylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone?
The molecular weight of 2-(4-chloro-3-methylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone is 390.10 g/mol.
Where can I buy 2-(4-chloro-3-methylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone?
You can request a quote for 2-(4-chloro-3-methylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-chloro-3-methylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chloro-3-methylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.