2-Thiophenecarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester
TL;DR: 2-Thiophenecarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester (CAS 77444-67-8) is a chemical compound with molecular formula C9H7N3O3S and molecular weight 237.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-carbamoyl-1H-imidazol-4-yl) thiophene-2-carboxylate
Also Known As: 5-(Aminocarbonyl)-1H-imidazol-4-yl 2-thiophenecarboxylate, 5-Carbamoyl-1H-imidazole-4-yl thiophene-2'-carboxyate, 2-Thiophenecarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester, (5-carbamoyl-1H-imidazol-4-yl) thiophene-2-carboxylate, 5-CARBAMOYL-1H-IMIDAZOL-4-YL THIOPHENE-2-CARBOXYLATE
| Molecular Formula | C9H7N3O3S |
|---|---|
| Molecular Weight | 237.02 g/mol |
| LogP | 0.7893 |
| Topological Polar Surface Area | 98.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.02081 |
| Heavy Atoms | 16 |
| Complexity | 517.85144 |
Chemical Identifiers
| CAS Number | 77444-67-8 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)OC2=C(NC=N2)C(=O)N |
Product Overview
2-Thiophenecarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester (CAS 77444-67-8), with molecular formula C9H7N3O3S and molecular weight 237.02 g/mol. IUPAC: (5-carbamoyl-1H-imidazol-4-yl) thiophene-2-carboxylate.
Chemical Property Profile of 2-Thiophenecarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester
Property Insights of 2-Thiophenecarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester
The XLogP value of 0.7893 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiophenecarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester. The TPSA of 98.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Thiophenecarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester. Following Lipinski's Rule of Five, 2-Thiophenecarboxylic 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 2-Thiophenecarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester?
The CAS number of 2-Thiophenecarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester is 77444-67-8.
What is the molecular formula of 2-Thiophenecarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester?
The molecular formula of 2-Thiophenecarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester is C9H7N3O3S.
What is the molecular weight of 2-Thiophenecarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester?
The molecular weight of 2-Thiophenecarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester is 237.02 g/mol.
Where can I buy 2-Thiophenecarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester?
You can request a quote for 2-Thiophenecarboxylic 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 2-Thiophenecarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenecarboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.