4-(Aminocarbonyl)-1H-imidazol-5-yl 2-furancarboxylate
TL;DR: 4-(Aminocarbonyl)-1H-imidazol-5-yl 2-furancarboxylate (CAS 78682-15-2) is a chemical compound with molecular formula C9H7N3O4 and molecular weight 221.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-carbamoyl-1H-imidazol-4-yl) furan-2-carboxylate
Also Known As: 2-Furancarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester, 5-(Aminocarbonyl)-1H-imidazol-4-yl 2-furancarboxylate, 5-Carbamoyl-1H-imidazole-4-yl furan-2'-carboxylate, (5-carbamoyl-1H-imidazol-4-yl) furan-2-carboxylate, 4-(Aminocarbonyl)-1H-imidazol-5-yl 2-furancarboxylate
| Molecular Formula | C9H7N3O4 |
|---|---|
| Molecular Weight | 221.04 g/mol |
| LogP | 0.3208 |
| Topological Polar Surface Area | 111.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.04366 |
| Heavy Atoms | 16 |
| Complexity | 514.6063 |
Chemical Identifiers
| CAS Number | 78682-15-2 |
|---|---|
| SMILES | C1=COC(=C1)C(=O)OC2=C(NC=N2)C(=O)N |
Product Overview
4-(Aminocarbonyl)-1H-imidazol-5-yl 2-furancarboxylate (CAS 78682-15-2), with molecular formula C9H7N3O4 and molecular weight 221.04 g/mol. IUPAC: (5-carbamoyl-1H-imidazol-4-yl) furan-2-carboxylate.
Chemical Property Profile of 4-(Aminocarbonyl)-1H-imidazol-5-yl 2-furancarboxylate
Property Insights of 4-(Aminocarbonyl)-1H-imidazol-5-yl 2-furancarboxylate
The XLogP value of 0.3208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Aminocarbonyl)-1H-imidazol-5-yl 2-furancarboxylate. The TPSA of 111.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Aminocarbonyl)-1H-imidazol-5-yl 2-furancarboxylate. Following Lipinski's Rule of Five, 4-(Aminocarbonyl)-1H-imidazol-5-yl 2-furancarboxylate has 2 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 4-(Aminocarbonyl)-1H-imidazol-5-yl 2-furancarboxylate?
The CAS number of 4-(Aminocarbonyl)-1H-imidazol-5-yl 2-furancarboxylate is 78682-15-2.
What is the molecular formula of 4-(Aminocarbonyl)-1H-imidazol-5-yl 2-furancarboxylate?
The molecular formula of 4-(Aminocarbonyl)-1H-imidazol-5-yl 2-furancarboxylate is C9H7N3O4.
What is the molecular weight of 4-(Aminocarbonyl)-1H-imidazol-5-yl 2-furancarboxylate?
The molecular weight of 4-(Aminocarbonyl)-1H-imidazol-5-yl 2-furancarboxylate is 221.04 g/mol.
Where can I buy 4-(Aminocarbonyl)-1H-imidazol-5-yl 2-furancarboxylate?
You can request a quote for 4-(Aminocarbonyl)-1H-imidazol-5-yl 2-furancarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Aminocarbonyl)-1H-imidazol-5-yl 2-furancarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Aminocarbonyl)-1H-imidazol-5-yl 2-furancarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.