![2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid structure](/static/products/902/90261-20-4.png)
2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid
TL;DR: 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid (CAS 90261-20-4) is a chemical compound with molecular formula C12H10N2O4 and molecular weight 246.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid
Also Known As: ChemDiv3_010066, 4-pentylcyclohexanecarbohydrazide, IDI1_027976, 2-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid, 2-BENZO[1,3]DIOXOL-5-YL-5-METHYL-3H-IMIDAZOLE-4-CARBOXYLIC ACID
| Molecular Formula | C12H10N2O4 |
|---|---|
| Molecular Weight | 246.06 g/mol |
| LogP | 1.81202 |
| Topological Polar Surface Area | 84.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.06406 |
| Heavy Atoms | 18 |
| Complexity | 633.0028 |
Chemical Identifiers
| CAS Number | 90261-20-4 |
|---|---|
| SMILES | CC1=C(N=C(N1)C2=CC3=C(C=C2)OCO3)C(=O)O |
Product Overview
2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid (CAS 90261-20-4), with molecular formula C12H10N2O4 and molecular weight 246.06 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid.
Chemical Property Profile of 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid
Property Insights of 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid
The XLogP value of 1.81202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid. The TPSA of 84.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid. Following Lipinski's Rule of Five, 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid has 2 hydrogen bond donor(s) and 4 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 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid?
The CAS number of 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid is 90261-20-4.
What is the molecular formula of 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid?
The molecular formula of 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid is C12H10N2O4.
What is the molecular weight of 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid?
The molecular weight of 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid is 246.06 g/mol.
Where can I buy 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid?
You can request a quote for 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.