3-(chloromethyl)-1-methyl-1H-indazole
TL;DR: 3-(chloromethyl)-1-methyl-1H-indazole (CAS 1578-97-8) is a chemical compound with molecular formula C9H9ClN2 and molecular weight 180.04543 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(chloromethyl)-1-methylindazole
Also Known As: 3-(chloromethyl)-1-methyl-1H-indazole, 3-(chloromethyl)-1-methylindazole, 1H-Indazole, 3-(chloromethyl)-1-methyl-, 1-methyl-3-chloromethylindazole, 3-(chloromethyl)-1-methyl-indazole
Technical Specifications
| Molecular Formula | C9H9ClN2 |
| Molecular Weight | 180.04543 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.04543 Da |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
| SMILES | CN1C2=CC=CC=C2C(=N1)CCl |
| InChIKey | LYLGQIOTMAQQEB-UHFFFAOYSA-N |
Chemical Property Profile of 3-(chloromethyl)-1-methyl-1H-indazole
Property Insights of 3-(chloromethyl)-1-methyl-1H-indazole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(chloromethyl)-1-methyl-1H-indazole. With a topological polar surface area (TPSA) of 17.8 Ų, 3-(chloromethyl)-1-methyl-1H-indazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(chloromethyl)-1-methyl-1H-indazole has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(chloromethyl)-1-methyl-1H-indazole?
The CAS number of 3-(chloromethyl)-1-methyl-1H-indazole is 1578-97-8.
What is the molecular formula of 3-(chloromethyl)-1-methyl-1H-indazole?
The molecular formula of 3-(chloromethyl)-1-methyl-1H-indazole is C9H9ClN2.
What is the molecular weight of 3-(chloromethyl)-1-methyl-1H-indazole?
The molecular weight of 3-(chloromethyl)-1-methyl-1H-indazole is 180.04543 g/mol.
Where can I buy 3-(chloromethyl)-1-methyl-1H-indazole?
You can request a quote for 3-(chloromethyl)-1-methyl-1H-indazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(chloromethyl)-1-methyl-1H-indazole?
Yes, CoreyChem provides custom synthesis services for 3-(chloromethyl)-1-methyl-1H-indazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.