Dimethyl 1-benzyl-1H-imidazole-4,5-dicarboxylate
TL;DR: Dimethyl 1-benzyl-1H-imidazole-4,5-dicarboxylate (CAS 321970-25-6) is a chemical compound with molecular formula C14H14N2O4 and molecular weight 274.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-benzylimidazole-4,5-dicarboxylate
Also Known As: Dimethyl 1-benzyl-1H-imidazole-4,5-dicarboxylate, dimethyl 1-benzylimidazole-4,5-dicarboxylate, 4,5-dimethyl 1-benzyl-1H-imidazole-4,5-dicarboxylate, 1-benzyl-1h-imidazole-4,5-dicarboxylic acid dimethyl ester, Dimethyl1-benzyl-1H-imidazole-4,5-dicarboxylate
| Molecular Formula | C14H14N2O4 |
|---|---|
| Molecular Weight | 274.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.09537 |
| Heavy Atoms | 20 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 321970-25-6 |
|---|---|
| SMILES | COC(=O)C1=C(N(C=N1)CC2=CC=CC=C2)C(=O)OC |
| InChIKey | AQLGPELKQBCWGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 1-benzyl-1H-imidazole-4,5-dicarboxylate (CAS 321970-25-6), with molecular formula C14H14N2O4 and molecular weight 274.10 g/mol. IUPAC: dimethyl 1-benzylimidazole-4,5-dicarboxylate.
Chemical Property Profile of Dimethyl 1-benzyl-1H-imidazole-4,5-dicarboxylate
Property Insights of Dimethyl 1-benzyl-1H-imidazole-4,5-dicarboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 1-benzyl-1H-imidazole-4,5-dicarboxylate. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 1-benzyl-1H-imidazole-4,5-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 1-benzyl-1H-imidazole-4,5-dicarboxylate has 0 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 Dimethyl 1-benzyl-1H-imidazole-4,5-dicarboxylate?
The CAS number of Dimethyl 1-benzyl-1H-imidazole-4,5-dicarboxylate is 321970-25-6.
What is the molecular formula of Dimethyl 1-benzyl-1H-imidazole-4,5-dicarboxylate?
The molecular formula of Dimethyl 1-benzyl-1H-imidazole-4,5-dicarboxylate is C14H14N2O4.
What is the molecular weight of Dimethyl 1-benzyl-1H-imidazole-4,5-dicarboxylate?
The molecular weight of Dimethyl 1-benzyl-1H-imidazole-4,5-dicarboxylate is 274.10 g/mol.
Where can I buy Dimethyl 1-benzyl-1H-imidazole-4,5-dicarboxylate?
You can request a quote for Dimethyl 1-benzyl-1H-imidazole-4,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 1-benzyl-1H-imidazole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 1-benzyl-1H-imidazole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.