3-Chloro-2-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)-4,5,6,7-tetrahydroindazole
TL;DR: 3-Chloro-2-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)-4,5,6,7-tetrahydroindazole (CAS 122854-98-2) is a chemical compound with molecular formula C20H17Cl2FN2O and molecular weight 390.07 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-phenylmethoxyphenyl)-4,5,6,7-tetrahydroindazole
Also Known As: 3-chloro-2-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)-4,5,6,7-tetrahydroindazole, 2-[5-(Benzyloxy)-4-chloro-2-fluorophenyl]-3-chloro-4,5,6,7-tetrahydro-2H-indazole, 3-chloro-2-(4-chloro-2-fluoro-5-phenylmethoxy-phenyl)-4,5,6,7-tetrahydroindazole
| Molecular Formula | C20H17Cl2FN2O |
|---|---|
| Molecular Weight | 390.07 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 27.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.0702 |
| Heavy Atoms | 26 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 122854-98-2 |
|---|---|
| SMILES | C1CCC2=NN(C(=C2C1)Cl)C3=CC(=C(C=C3F)Cl)OCC4=CC=CC=C4 |
| InChIKey | DRKOJAVRRGLSIA-UHFFFAOYSA-N |
Product Overview
3-Chloro-2-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)-4,5,6,7-tetrahydroindazole (CAS 122854-98-2), with molecular formula C20H17Cl2FN2O and molecular weight 390.07 g/mol. IUPAC: 3-chloro-2-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)-4,5,6,7-tetrahydroindazole.
Chemical Property Profile of 3-Chloro-2-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)-4,5,6,7-tetrahydroindazole
Property Insights of 3-Chloro-2-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)-4,5,6,7-tetrahydroindazole
The XLogP value of 6.3 indicates that 3-Chloro-2-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)-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-phenylmethoxyphenyl)-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-phenylmethoxyphenyl)-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-phenylmethoxyphenyl)-4,5,6,7-tetrahydroindazole?
The CAS number of 3-Chloro-2-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)-4,5,6,7-tetrahydroindazole is 122854-98-2.
What is the molecular formula of 3-Chloro-2-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)-4,5,6,7-tetrahydroindazole?
The molecular formula of 3-Chloro-2-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)-4,5,6,7-tetrahydroindazole is C20H17Cl2FN2O.
What is the molecular weight of 3-Chloro-2-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)-4,5,6,7-tetrahydroindazole?
The molecular weight of 3-Chloro-2-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)-4,5,6,7-tetrahydroindazole is 390.07 g/mol.
Where can I buy 3-Chloro-2-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)-4,5,6,7-tetrahydroindazole?
You can request a quote for 3-Chloro-2-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)-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-phenylmethoxyphenyl)-4,5,6,7-tetrahydroindazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)-4,5,6,7-tetrahydroindazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.