3-Furancarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester
TL;DR: 3-Furancarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester (CAS 78682-19-6) 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-3-carboxylate
Also Known As: 5-(Aminocarbonyl)-1H-imidazol-4-yl 3-furancarboxylate, 5-Carbamoyl-1H-imidazole-4-yl furan-3'-carboxylate, 3-Furancarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester, (5-carbamoyl-1H-imidazol-4-yl) furan-3-carboxylate, 5-CARBAMOYL-1H-IMIDAZOL-4-YL FURAN-3-CARBOXYLATE
| 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 | 78682-19-6 |
|---|---|
| SMILES | C1=COC=C1C(=O)OC2=C(NC=N2)C(=O)N |
Product Overview
3-Furancarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester (CAS 78682-19-6), with molecular formula C9H7N3O4 and molecular weight 221.04 g/mol. IUPAC: (5-carbamoyl-1H-imidazol-4-yl) furan-3-carboxylate.
Chemical Property Profile of 3-Furancarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester
Property Insights of 3-Furancarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester
The XLogP value of 0.3208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Furancarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester. The TPSA of 111.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Furancarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester. Following Lipinski's Rule of Five, 3-Furancarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester 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 3-Furancarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester?
The CAS number of 3-Furancarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester is 78682-19-6.
What is the molecular formula of 3-Furancarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester?
The molecular formula of 3-Furancarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester is C9H7N3O4.
What is the molecular weight of 3-Furancarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester?
The molecular weight of 3-Furancarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester is 221.04 g/mol.
Where can I buy 3-Furancarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester?
You can request a quote for 3-Furancarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Furancarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Furancarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.