2-(4-Chloro-2-fluoro-5-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one
TL;DR: 2-(4-Chloro-2-fluoro-5-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one (CAS 122855-12-3) is a chemical compound with molecular formula C13H14ClFN2O2 and molecular weight 284.07278 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chloro-2-fluoro-5-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one
Also Known As: 2-(4-Chloro-2-fluoro-5-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one, 1H-Indazol-3-one, 3a,4,5,6,7,7a-hexahydro-2-(4-chloro-2-fluoro-5-hydroxyphenyl)-, 2-(4-chloro-2-fluoro-5-hydroxyphenyl)octahydro-3H-indazol-3-one, 2-(4-chloro-2-fluoro-5-hydroxy-phenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one
Technical Specifications
| Molecular Formula | C13H14ClFN2O2 |
| Molecular Weight | 284.07278 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.07278 Da |
| Heavy Atoms | 19 |
| Complexity | 371.0 |
| SMILES | C1CCC2C(C1)C(=O)N(N2)C3=CC(=C(C=C3F)Cl)O |
| InChIKey | WFUDIFIPSUNIFY-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Chloro-2-fluoro-5-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one
Property Insights of 2-(4-Chloro-2-fluoro-5-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chloro-2-fluoro-5-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one. With a topological polar surface area (TPSA) of 52.6 Ų, 2-(4-Chloro-2-fluoro-5-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chloro-2-fluoro-5-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(4-Chloro-2-fluoro-5-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one?
The CAS number of 2-(4-Chloro-2-fluoro-5-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one is 122855-12-3.
What is the molecular formula of 2-(4-Chloro-2-fluoro-5-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one?
The molecular formula of 2-(4-Chloro-2-fluoro-5-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one is C13H14ClFN2O2.
What is the molecular weight of 2-(4-Chloro-2-fluoro-5-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one?
The molecular weight of 2-(4-Chloro-2-fluoro-5-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one is 284.07278 g/mol.
Where can I buy 2-(4-Chloro-2-fluoro-5-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one?
You can request a quote for 2-(4-Chloro-2-fluoro-5-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Chloro-2-fluoro-5-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one?
Yes, CoreyChem provides custom synthesis services for 2-(4-Chloro-2-fluoro-5-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.