1H-Imidazole-4,5-dicarboxylic acid, 4,5-dimethyl ester
TL;DR: 1H-Imidazole-4,5-dicarboxylic acid, 4,5-dimethyl ester (CAS 3304-70-9) is a chemical compound with molecular formula C7H8N2O4 and molecular weight 184.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1H-imidazole-4,5-dicarboxylate
Also Known As: DIMETHYL 4,5-IMIDAZOLEDICARBOXYLATE, Dimethyl 1H-imidazole-4,5-dicarboxylate, Dimethyl imidazole-4,5-dicarboxylate, 1H-Imidazole-4,5-dicarboxylic acid dimethyl ester, 4,5-dimethyl 1H-imidazole-4,5-dicarboxylate
| Molecular Formula | C7H8N2O4 |
|---|---|
| Molecular Weight | 184.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.0484 |
| Heavy Atoms | 13 |
| Complexity | 219.0 |
| Solubility | >27.6 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 3304-70-9 |
|---|---|
| SMILES | COC(=O)C1=C(N=CN1)C(=O)OC |
| InChIKey | CUIWFAXEALIQJS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Imidazole-4,5-dicarboxylic acid, 4,5-dimethyl ester (CAS 3304-70-9), with molecular formula C7H8N2O4 and molecular weight 184.05 g/mol. IUPAC: dimethyl 1H-imidazole-4,5-dicarboxylate.
Chemical Property Profile of 1H-Imidazole-4,5-dicarboxylic acid, 4,5-dimethyl ester
Property Insights of 1H-Imidazole-4,5-dicarboxylic acid, 4,5-dimethyl ester
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole-4,5-dicarboxylic acid, 4,5-dimethyl ester. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole-4,5-dicarboxylic acid, 4,5-dimethyl ester. Following Lipinski's Rule of Five, 1H-Imidazole-4,5-dicarboxylic acid, 4,5-dimethyl ester has 1 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-Imidazole-4,5-dicarboxylic acid, 4,5-dimethyl ester?
The CAS number of 1H-Imidazole-4,5-dicarboxylic acid, 4,5-dimethyl ester is 3304-70-9.
What is the molecular formula of 1H-Imidazole-4,5-dicarboxylic acid, 4,5-dimethyl ester?
The molecular formula of 1H-Imidazole-4,5-dicarboxylic acid, 4,5-dimethyl ester is C7H8N2O4.
What is the molecular weight of 1H-Imidazole-4,5-dicarboxylic acid, 4,5-dimethyl ester?
The molecular weight of 1H-Imidazole-4,5-dicarboxylic acid, 4,5-dimethyl ester is 184.05 g/mol.
Where can I buy 1H-Imidazole-4,5-dicarboxylic acid, 4,5-dimethyl ester?
You can request a quote for 1H-Imidazole-4,5-dicarboxylic acid, 4,5-dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole-4,5-dicarboxylic acid, 4,5-dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole-4,5-dicarboxylic acid, 4,5-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.