1H-Indazole-3-carboxylic acid, 1-(2-methylbenzyl)-
TL;DR: 1H-Indazole-3-carboxylic acid, 1-(2-methylbenzyl)- (CAS 58586-04-2) is a chemical compound with molecular formula C16H14N2O2 and molecular weight 266.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-methylphenyl)methyl]indazole-3-carboxylic acid
Also Known As: 1H-Indazole-3-carboxylic acid, 1-(2-methylbenzyl)-, 1-(2-Methylbenzyl)-1H-indazole-3-carboxylic acid, 5-25-04-00250 (Beilstein Handbook Reference), 1-(2-Methyl-benzyl)-1H-indazole-3-carboxylic acid, 1-[(2-Methylphenyl)methyl]-1H-indazole-3-carboxylic acid
| Molecular Formula | C16H14N2O2 |
|---|---|
| Molecular Weight | 266.11 g/mol |
| LogP | 3.09122 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.10553 |
| Heavy Atoms | 20 |
| Complexity | 790.0261 |
Chemical Identifiers
| CAS Number | 58586-04-2 |
|---|---|
| SMILES | CC1=CC=CC=C1CN2C3=CC=CC=C3C(=N2)C(=O)O |
Product Overview
1H-Indazole-3-carboxylic acid, 1-(2-methylbenzyl)- (CAS 58586-04-2), with molecular formula C16H14N2O2 and molecular weight 266.11 g/mol. IUPAC: 1-[(2-methylphenyl)methyl]indazole-3-carboxylic acid.
Chemical Property Profile of 1H-Indazole-3-carboxylic acid, 1-(2-methylbenzyl)-
Property Insights of 1H-Indazole-3-carboxylic acid, 1-(2-methylbenzyl)-
The XLogP value of 3.09122 indicates that 1H-Indazole-3-carboxylic acid, 1-(2-methylbenzyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.12 Ų, 1H-Indazole-3-carboxylic acid, 1-(2-methylbenzyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indazole-3-carboxylic acid, 1-(2-methylbenzyl)- has 1 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 1H-Indazole-3-carboxylic acid, 1-(2-methylbenzyl)-?
The CAS number of 1H-Indazole-3-carboxylic acid, 1-(2-methylbenzyl)- is 58586-04-2.
What is the molecular formula of 1H-Indazole-3-carboxylic acid, 1-(2-methylbenzyl)-?
The molecular formula of 1H-Indazole-3-carboxylic acid, 1-(2-methylbenzyl)- is C16H14N2O2.
What is the molecular weight of 1H-Indazole-3-carboxylic acid, 1-(2-methylbenzyl)-?
The molecular weight of 1H-Indazole-3-carboxylic acid, 1-(2-methylbenzyl)- is 266.11 g/mol.
Where can I buy 1H-Indazole-3-carboxylic acid, 1-(2-methylbenzyl)-?
You can request a quote for 1H-Indazole-3-carboxylic acid, 1-(2-methylbenzyl)- 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-carboxylic acid, 1-(2-methylbenzyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indazole-3-carboxylic acid, 1-(2-methylbenzyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.