2-(4-Chloro-2-fluoro-5-propan-2-yloxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one
TL;DR: 2-(4-Chloro-2-fluoro-5-propan-2-yloxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one (CAS 122855-13-4) is a chemical compound with molecular formula C16H20ClFN2O2 and molecular weight 326.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one
Also Known As: 2-(4-Chloro-2-fluoro-5-propan-2-yloxyphenyl)-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-propan-2-yloxyphenyl)-, 2-(4-chloro-2-fluoro-5-propan-2-yloxy-phenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one, 2-{4-Chloro-2-fluoro-5-[(propan-2-yl)oxy]phenyl}octahydro-3H-indazol-3-one
| Molecular Formula | C16H20ClFN2O2 |
|---|---|
| Molecular Weight | 326.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.11972 |
| Heavy Atoms | 22 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 122855-13-4 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C(=C1)N2C(=O)C3CCCCC3N2)F)Cl |
| InChIKey | IIBOEKZYRLMDKW-UHFFFAOYSA-N |
Product Overview
2-(4-Chloro-2-fluoro-5-propan-2-yloxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one (CAS 122855-13-4), with molecular formula C16H20ClFN2O2 and molecular weight 326.12 g/mol. IUPAC: 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one.
Chemical Property Profile of 2-(4-Chloro-2-fluoro-5-propan-2-yloxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one
Property Insights of 2-(4-Chloro-2-fluoro-5-propan-2-yloxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one
The XLogP value of 3.7 indicates that 2-(4-Chloro-2-fluoro-5-propan-2-yloxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, 2-(4-Chloro-2-fluoro-5-propan-2-yloxyphenyl)-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-propan-2-yloxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one 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-2-fluoro-5-propan-2-yloxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one?
The CAS number of 2-(4-Chloro-2-fluoro-5-propan-2-yloxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one is 122855-13-4.
What is the molecular formula of 2-(4-Chloro-2-fluoro-5-propan-2-yloxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one?
The molecular formula of 2-(4-Chloro-2-fluoro-5-propan-2-yloxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one is C16H20ClFN2O2.
What is the molecular weight of 2-(4-Chloro-2-fluoro-5-propan-2-yloxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one?
The molecular weight of 2-(4-Chloro-2-fluoro-5-propan-2-yloxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one is 326.12 g/mol.
Where can I buy 2-(4-Chloro-2-fluoro-5-propan-2-yloxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one?
You can request a quote for 2-(4-Chloro-2-fluoro-5-propan-2-yloxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one 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-2-fluoro-5-propan-2-yloxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chloro-2-fluoro-5-propan-2-yloxyphenyl)-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.