1H-Indazole, 3-methoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-
TL;DR: 1H-Indazole, 3-methoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)- (CAS 5512-95-8) is a chemical compound with molecular formula C15H11F3N2O and molecular weight 292.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-1-[3-(trifluoromethyl)phenyl]indazole
Also Known As: ITF 642, 3-methoxy-1-[3-(trifluoromethyl)phenyl]-1h-indazole, 3-methoxy-1-[3-(trifluoromethyl)phenyl]indazole, 1H-Indazole, 3-methoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-, 5-23-11-00245 (Beilstein Handbook Reference)
| Molecular Formula | C15H11F3N2O |
|---|---|
| Molecular Weight | 292.08 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 27.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.08234 |
| Heavy Atoms | 21 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 5512-95-8 |
|---|---|
| SMILES | COC1=NN(C2=CC=CC=C21)C3=CC=CC(=C3)C(F)(F)F |
| InChIKey | GAYXSKFUIOLLCM-UHFFFAOYSA-N |
Product Overview
1H-Indazole, 3-methoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)- (CAS 5512-95-8), with molecular formula C15H11F3N2O and molecular weight 292.08 g/mol. IUPAC: 3-methoxy-1-[3-(trifluoromethyl)phenyl]indazole.
Chemical Property Profile of 1H-Indazole, 3-methoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-
Property Insights of 1H-Indazole, 3-methoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-
The XLogP value of 4.4 indicates that 1H-Indazole, 3-methoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.1 Ų, 1H-Indazole, 3-methoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indazole, 3-methoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)- has 0 hydrogen bond donor(s) and 5 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 1H-Indazole, 3-methoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-?
The CAS number of 1H-Indazole, 3-methoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)- is 5512-95-8.
What is the molecular formula of 1H-Indazole, 3-methoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-?
The molecular formula of 1H-Indazole, 3-methoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)- is C15H11F3N2O.
What is the molecular weight of 1H-Indazole, 3-methoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-?
The molecular weight of 1H-Indazole, 3-methoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)- is 292.08 g/mol.
Where can I buy 1H-Indazole, 3-methoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-?
You can request a quote for 1H-Indazole, 3-methoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indazole, 3-methoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indazole, 3-methoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.