5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
TL;DR: 5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid (CAS 895840-58-1) is a chemical compound with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
Also Known As: 5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid, 2-IODOETHYLETHER, 5-(tert-Butyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid, BAS 10516955, 5-tert-butyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
| Molecular Formula | C12H18N2O2 |
|---|---|
| Molecular Weight | 222.14 g/mol |
| LogP | 2.2589 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.13683 |
| Heavy Atoms | 16 |
| Complexity | 415.14352 |
Chemical Identifiers
| CAS Number | 895840-58-1 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)C(=NN2)C(=O)O |
Product Overview
5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid (CAS 895840-58-1), with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol. IUPAC: 5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid.
Chemical Property Profile of 5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
Property Insights of 5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
The XLogP value of 2.2589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid has 2 hydrogen bond donor(s) and 2 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 5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The CAS number of 5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid is 895840-58-1.
What is the molecular formula of 5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The molecular formula of 5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid is C12H18N2O2.
What is the molecular weight of 5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The molecular weight of 5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid is 222.14 g/mol.
Where can I buy 5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
You can request a quote for 5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.