Cyclohexanecarboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester
TL;DR: Cyclohexanecarboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester (CAS 78682-35-6) is a chemical compound with molecular formula C12H17N3O3 and molecular weight 251.13 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-methylcyclohexane-1-carboxylate
Also Known As: 5-(Aminocarbonyl)-1H-imidazol-4-yl 1-methylcyclohexanecarboxylate, Cyclohexanecarboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester, 5-Carbamoyl-1H-imidazole-4-yl 1'-methylcyclohexane-1'-carboxylate, (5-carbamoyl-1H-imidazol-4-yl) 1-methylcyclohexane-1-carboxylate, 5-CARBAMOYL-1H-IMIDAZOL-4-YL 1-METHYLCYCLOHEXANE-1-CARBOXYLATE
| Molecular Formula | C12H17N3O3 |
|---|---|
| Molecular Weight | 251.13 g/mol |
| LogP | 1.3844 |
| Topological Polar Surface Area | 98.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.127 |
| Heavy Atoms | 18 |
| Complexity | 460.88763 |
Chemical Identifiers
| CAS Number | 78682-35-6 |
|---|---|
| SMILES | CC1(CCCCC1)C(=O)OC2=C(NC=N2)C(=O)N |
Product Overview
Cyclohexanecarboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester (CAS 78682-35-6), with molecular formula C12H17N3O3 and molecular weight 251.13 g/mol. IUPAC: (5-carbamoyl-1H-imidazol-4-yl) 1-methylcyclohexane-1-carboxylate.
Chemical Property Profile of Cyclohexanecarboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester
Property Insights of Cyclohexanecarboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester
The XLogP value of 1.3844 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanecarboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester. The TPSA of 98.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclohexanecarboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester. Following Lipinski's Rule of Five, Cyclohexanecarboxylic 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 Cyclohexanecarboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester?
The CAS number of Cyclohexanecarboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester is 78682-35-6.
What is the molecular formula of Cyclohexanecarboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester?
The molecular formula of Cyclohexanecarboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester is C12H17N3O3.
What is the molecular weight of Cyclohexanecarboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester?
The molecular weight of Cyclohexanecarboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester is 251.13 g/mol.
Where can I buy Cyclohexanecarboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester?
You can request a quote for Cyclohexanecarboxylic 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 Cyclohexanecarboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanecarboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.