diethyl 1H,1'H-2,2'-biimidazole-4,4'-dicarboxylate
TL;DR: diethyl 1H,1'H-2,2'-biimidazole-4,4'-dicarboxylate (CAS 143359-56-2) is a chemical compound with molecular formula C12H14N4O4 and molecular weight 278.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(5-ethoxycarbonyl-1H-imidazol-2-yl)-1H-imidazole-5-carboxylate
Also Known As: diethyl 2,2'-bi-1H-imidazole-4,4'-dicarboxylate, diethyl 1H,1'H-2,2'-biimidazole-4,4'-dicarboxylate, [2,2'-bi-1H-imidazole]-4,4'-dicarboxylic acid, diethyl ester, ethyl 2-(5-ethoxycarbonyl-1H-imidazol-2-yl)-1H-imidazole-5-carboxylate, InChI=1/C12H14N4O4/c1-3-19-11(17)7-5-13-9(15-7)10-14-6-8(16-10)12(18)20-4-2/h5-6H,3-4H2,1-2H3,(H,13,15)(H,14,16
| Molecular Formula | C12H14N4O4 |
|---|---|
| Molecular Weight | 278.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 278.1015 |
| Heavy Atoms | 20 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 143359-56-2 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N1)C2=NC=C(N2)C(=O)OCC |
| InChIKey | MAUPQUMYBZCKLB-UHFFFAOYSA-N |
Product Overview
diethyl 1H,1'H-2,2'-biimidazole-4,4'-dicarboxylate (CAS 143359-56-2), with molecular formula C12H14N4O4 and molecular weight 278.10 g/mol. IUPAC: ethyl 2-(5-ethoxycarbonyl-1H-imidazol-2-yl)-1H-imidazole-5-carboxylate.
Chemical Property Profile of diethyl 1H,1'H-2,2'-biimidazole-4,4'-dicarboxylate
Property Insights of diethyl 1H,1'H-2,2'-biimidazole-4,4'-dicarboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 1H,1'H-2,2'-biimidazole-4,4'-dicarboxylate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 1H,1'H-2,2'-biimidazole-4,4'-dicarboxylate. Following Lipinski's Rule of Five, diethyl 1H,1'H-2,2'-biimidazole-4,4'-dicarboxylate has 2 hydrogen bond donor(s) and 6 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 diethyl 1H,1'H-2,2'-biimidazole-4,4'-dicarboxylate?
The CAS number of diethyl 1H,1'H-2,2'-biimidazole-4,4'-dicarboxylate is 143359-56-2.
What is the molecular formula of diethyl 1H,1'H-2,2'-biimidazole-4,4'-dicarboxylate?
The molecular formula of diethyl 1H,1'H-2,2'-biimidazole-4,4'-dicarboxylate is C12H14N4O4.
What is the molecular weight of diethyl 1H,1'H-2,2'-biimidazole-4,4'-dicarboxylate?
The molecular weight of diethyl 1H,1'H-2,2'-biimidazole-4,4'-dicarboxylate is 278.10 g/mol.
Where can I buy diethyl 1H,1'H-2,2'-biimidazole-4,4'-dicarboxylate?
You can request a quote for diethyl 1H,1'H-2,2'-biimidazole-4,4'-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 1H,1'H-2,2'-biimidazole-4,4'-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 1H,1'H-2,2'-biimidazole-4,4'-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.