1H-Pyrrole-2-carboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester
TL;DR: 1H-Pyrrole-2-carboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester (CAS 78682-18-5) is a chemical compound with molecular formula C10H10N4O3 and molecular weight 234.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-carbamoyl-1H-imidazol-4-yl) 1-methylpyrrole-2-carboxylate
Also Known As: 1H-Pyrrole-2-carboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester, 5-(Aminocarbonyl)-1H-imidazol-4-yl 1-methyl-1H-pyrrole-2-carboxylate, 5-Carbamoyl-1H-imidazole-4-yl N-methylpyrrole-2'-carboxylate, (5-carbamoyl-1H-imidazol-4-yl) 1-methylpyrrole-2-carboxylate, 5-Carbamoyl-1H-imidazol-4-yl 1-methyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C10H10N4O3 |
|---|---|
| Molecular Weight | 234.08 g/mol |
| LogP | 0.0663 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.07529 |
| Heavy Atoms | 17 |
| Complexity | 569.6229 |
Chemical Identifiers
| CAS Number | 78682-18-5 |
|---|---|
| SMILES | CN1C=CC=C1C(=O)OC2=C(NC=N2)C(=O)N |
Product Overview
1H-Pyrrole-2-carboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester (CAS 78682-18-5), with molecular formula C10H10N4O3 and molecular weight 234.08 g/mol. IUPAC: (5-carbamoyl-1H-imidazol-4-yl) 1-methylpyrrole-2-carboxylate.
Chemical Property Profile of 1H-Pyrrole-2-carboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester
Property Insights of 1H-Pyrrole-2-carboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester
The XLogP value of 0.0663 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-2-carboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-2-carboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester. Following Lipinski's Rule of Five, 1H-Pyrrole-2-carboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester has 2 hydrogen bond donor(s) and 4 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 1H-Pyrrole-2-carboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester?
The CAS number of 1H-Pyrrole-2-carboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester is 78682-18-5.
What is the molecular formula of 1H-Pyrrole-2-carboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester?
The molecular formula of 1H-Pyrrole-2-carboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester is C10H10N4O3.
What is the molecular weight of 1H-Pyrrole-2-carboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester?
The molecular weight of 1H-Pyrrole-2-carboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester is 234.08 g/mol.
Where can I buy 1H-Pyrrole-2-carboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester?
You can request a quote for 1H-Pyrrole-2-carboxylic acid, 1-methyl-, 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 1H-Pyrrole-2-carboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-2-carboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.