3-Chloro-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5,6,7-tetrahydroindazole
TL;DR: 3-Chloro-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5,6,7-tetrahydroindazole (CAS 91167-63-4) is a chemical compound with molecular formula C16H17Cl2FN2O and molecular weight 342.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5,6,7-tetrahydroindazole
Also Known As: 3-chloro-2-(4-chloro-2-fluoro-5-isopropoxyphenyl)-4,5,6,7-tetrahydro-2H-indazole, 3-Chloro-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5,6,7-tetrahydroindazole, 3-chloro-2-[4-chloro-2-fluoro-5-(propan-2-yloxy)phenyl]-4,5,6,7-tetrahydro-2H-indazole, 3-chloro-2-(4-chloro-2-fluoro-5-propan-2-yloxy-phenyl)-4,5,6,7-tetrahydroindazole, 3-Chloro-2-{4-chloro-2-fluoro-5-[(propan-2-yl)oxy]phenyl}-4,5,6,7-tetrahydro-2H-indazole
| Molecular Formula | C16H17Cl2FN2O |
|---|---|
| Molecular Weight | 342.07 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 27.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.0702 |
| Heavy Atoms | 22 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 91167-63-4 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C(=C1)N2C(=C3CCCCC3=N2)Cl)F)Cl |
| InChIKey | CXKAPDFYKAWQRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5,6,7-tetrahydroindazole (CAS 91167-63-4), with molecular formula C16H17Cl2FN2O and molecular weight 342.07 g/mol. IUPAC: 3-chloro-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5,6,7-tetrahydroindazole.
Chemical Property Profile of 3-Chloro-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5,6,7-tetrahydroindazole
Property Insights of 3-Chloro-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5,6,7-tetrahydroindazole
The XLogP value of 5.6 indicates that 3-Chloro-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5,6,7-tetrahydroindazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.1 Ų, 3-Chloro-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5,6,7-tetrahydroindazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5,6,7-tetrahydroindazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Chloro-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5,6,7-tetrahydroindazole?
The CAS number of 3-Chloro-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5,6,7-tetrahydroindazole is 91167-63-4.
What is the molecular formula of 3-Chloro-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5,6,7-tetrahydroindazole?
The molecular formula of 3-Chloro-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5,6,7-tetrahydroindazole is C16H17Cl2FN2O.
What is the molecular weight of 3-Chloro-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5,6,7-tetrahydroindazole?
The molecular weight of 3-Chloro-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5,6,7-tetrahydroindazole is 342.07 g/mol.
Where can I buy 3-Chloro-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5,6,7-tetrahydroindazole?
You can request a quote for 3-Chloro-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5,6,7-tetrahydroindazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5,6,7-tetrahydroindazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5,6,7-tetrahydroindazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.