![1-[4-(5-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one structure](/static/products/1290/129057-00-7.webp)
1-[4-(5-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
TL;DR: 1-[4-(5-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one (CAS 129057-00-7) is a chemical compound with molecular formula C12H15N3O and molecular weight 217.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(5-methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
Also Known As: U-80816E, 1-[4-(5-methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one, 1-[4-(5-methyl-1H-imidazol-1-yl)-2-butynyl]-2-pyrrolidinone, U 80816, 1-[4-(5-methyl-1h-imidazol-1-yl)but-2-yn-1-yl]pyrrolidin-2-one
| Molecular Formula | C12H15N3O |
|---|---|
| Molecular Weight | 217.12 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.1215 |
| Heavy Atoms | 16 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 129057-00-7 |
|---|---|
| SMILES | CC1=CN=CN1CC#CCN2CCCC2=O |
| InChIKey | CERDUKJJPNJGLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-[4-(5-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one (CAS 129057-00-7), with molecular formula C12H15N3O and molecular weight 217.12 g/mol. IUPAC: 1-[4-(5-methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one.
Chemical Property Profile of 1-[4-(5-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
Property Insights of 1-[4-(5-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(5-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one. With a topological polar surface area (TPSA) of 38.1 Ų, 1-[4-(5-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(5-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one has 0 hydrogen bond donor(s) and 2 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-[4-(5-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one?
The CAS number of 1-[4-(5-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one is 129057-00-7.
What is the molecular formula of 1-[4-(5-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one?
The molecular formula of 1-[4-(5-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one is C12H15N3O.
What is the molecular weight of 1-[4-(5-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one?
The molecular weight of 1-[4-(5-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one is 217.12 g/mol.
Where can I buy 1-[4-(5-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one?
You can request a quote for 1-[4-(5-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(5-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(5-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.