1-Piperazinecarboxylic acid, 4-(1H-benzimidazol-4-yl)-, 2-methyl-2-propenyl ester
TL;DR: 1-Piperazinecarboxylic acid, 4-(1H-benzimidazol-4-yl)-, 2-methyl-2-propenyl ester (CAS 84806-91-7) is a chemical compound with molecular formula C16H20N4O2 and molecular weight 300.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylprop-2-enyl 4-(1H-benzimidazol-4-yl)piperazine-1-carboxylate
Also Known As: 1-Piperazinecarboxylic acid, 4-(1H-benzimidazol-4-yl)-, 2-methyl-2-propenyl ester, 2-Methyl-2-propenyl 4-(1H-benzimidazol-4-yl)-1-piperazinecarboxylate, 2-methylprop-2-enyl 4-(1H-benzimidazol-4-yl)piperazine-1-carboxylate, 2-Methylprop-2-en-1-yl 4-(1H-1,3-benzimidazol-4-yl)piperazine-1-carboxylate, RefChem:233565
| Molecular Formula | C16H20N4O2 |
|---|---|
| Molecular Weight | 300.16 g/mol |
| LogP | 2.3976 |
| Topological Polar Surface Area | 61.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.15863 |
| Heavy Atoms | 22 |
| Complexity | 686.26556 |
Chemical Identifiers
| CAS Number | 84806-91-7 |
|---|---|
| SMILES | CC(=C)COC(=O)N1CCN(CC1)C2=CC=CC3=C2N=CN3 |
Product Overview
1-Piperazinecarboxylic acid, 4-(1H-benzimidazol-4-yl)-, 2-methyl-2-propenyl ester (CAS 84806-91-7), with molecular formula C16H20N4O2 and molecular weight 300.16 g/mol. IUPAC: 2-methylprop-2-enyl 4-(1H-benzimidazol-4-yl)piperazine-1-carboxylate.
Chemical Property Profile of 1-Piperazinecarboxylic acid, 4-(1H-benzimidazol-4-yl)-, 2-methyl-2-propenyl ester
Property Insights of 1-Piperazinecarboxylic acid, 4-(1H-benzimidazol-4-yl)-, 2-methyl-2-propenyl ester
The XLogP value of 2.3976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinecarboxylic acid, 4-(1H-benzimidazol-4-yl)-, 2-methyl-2-propenyl ester. The TPSA of 61.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Piperazinecarboxylic acid, 4-(1H-benzimidazol-4-yl)-, 2-methyl-2-propenyl ester. Following Lipinski's Rule of Five, 1-Piperazinecarboxylic acid, 4-(1H-benzimidazol-4-yl)-, 2-methyl-2-propenyl ester has 1 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 1-Piperazinecarboxylic acid, 4-(1H-benzimidazol-4-yl)-, 2-methyl-2-propenyl ester?
The CAS number of 1-Piperazinecarboxylic acid, 4-(1H-benzimidazol-4-yl)-, 2-methyl-2-propenyl ester is 84806-91-7.
What is the molecular formula of 1-Piperazinecarboxylic acid, 4-(1H-benzimidazol-4-yl)-, 2-methyl-2-propenyl ester?
The molecular formula of 1-Piperazinecarboxylic acid, 4-(1H-benzimidazol-4-yl)-, 2-methyl-2-propenyl ester is C16H20N4O2.
What is the molecular weight of 1-Piperazinecarboxylic acid, 4-(1H-benzimidazol-4-yl)-, 2-methyl-2-propenyl ester?
The molecular weight of 1-Piperazinecarboxylic acid, 4-(1H-benzimidazol-4-yl)-, 2-methyl-2-propenyl ester is 300.16 g/mol.
Where can I buy 1-Piperazinecarboxylic acid, 4-(1H-benzimidazol-4-yl)-, 2-methyl-2-propenyl ester?
You can request a quote for 1-Piperazinecarboxylic acid, 4-(1H-benzimidazol-4-yl)-, 2-methyl-2-propenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazinecarboxylic acid, 4-(1H-benzimidazol-4-yl)-, 2-methyl-2-propenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinecarboxylic acid, 4-(1H-benzimidazol-4-yl)-, 2-methyl-2-propenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.