1-(4-(Hexahydro-4,7-methanoisoindolin-2-yl)-2-butynyl)-2-pyrrolidinone
TL;DR: 1-(4-(Hexahydro-4,7-methanoisoindolin-2-yl)-2-butynyl)-2-pyrrolidinone (CAS 14053-10-2) is a chemical compound with molecular formula C17H24N2O and molecular weight 272.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-azatricyclo[5.2.1.02,6]decan-4-yl)but-2-ynyl]pyrrolidin-2-one
Also Known As: 1-(4-[?]ylbut-2-ynyl)pyrrolidin-2-one, 5-21-06-00371 (Beilstein Handbook Reference), 1-(4-(Hexahydro-4,7-methanoisoindolin-2-yl)-2-butynyl)-2-pyrrolidinone, 1-[4-(Hexahydro-4,7-methanoisoindolin-2-yl)-2-butynyl]-2-pyrrolidone, 2-Pyrrolidinone, 1-(4-(hexahydro-4,7-methanoisoindolin-2-yl)-2-butynyl)-
| Molecular Formula | C17H24N2O |
|---|---|
| Molecular Weight | 272.19 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.18887 |
| Heavy Atoms | 20 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 14053-10-2 |
|---|---|
| SMILES | C1CC(=O)N(C1)CC#CCN2CC3C4CCC(C4)C3C2 |
| InChIKey | JSIGXBPLLLEIPY-UHFFFAOYSA-N |
Product Overview
1-(4-(Hexahydro-4,7-methanoisoindolin-2-yl)-2-butynyl)-2-pyrrolidinone (CAS 14053-10-2), with molecular formula C17H24N2O and molecular weight 272.19 g/mol. IUPAC: 1-[4-(4-azatricyclo[5.2.1.02,6]decan-4-yl)but-2-ynyl]pyrrolidin-2-one.
Chemical Property Profile of 1-(4-(Hexahydro-4,7-methanoisoindolin-2-yl)-2-butynyl)-2-pyrrolidinone
Property Insights of 1-(4-(Hexahydro-4,7-methanoisoindolin-2-yl)-2-butynyl)-2-pyrrolidinone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-(Hexahydro-4,7-methanoisoindolin-2-yl)-2-butynyl)-2-pyrrolidinone. With a topological polar surface area (TPSA) of 23.6 Ų, 1-(4-(Hexahydro-4,7-methanoisoindolin-2-yl)-2-butynyl)-2-pyrrolidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-(Hexahydro-4,7-methanoisoindolin-2-yl)-2-butynyl)-2-pyrrolidinone 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-(Hexahydro-4,7-methanoisoindolin-2-yl)-2-butynyl)-2-pyrrolidinone?
The CAS number of 1-(4-(Hexahydro-4,7-methanoisoindolin-2-yl)-2-butynyl)-2-pyrrolidinone is 14053-10-2.
What is the molecular formula of 1-(4-(Hexahydro-4,7-methanoisoindolin-2-yl)-2-butynyl)-2-pyrrolidinone?
The molecular formula of 1-(4-(Hexahydro-4,7-methanoisoindolin-2-yl)-2-butynyl)-2-pyrrolidinone is C17H24N2O.
What is the molecular weight of 1-(4-(Hexahydro-4,7-methanoisoindolin-2-yl)-2-butynyl)-2-pyrrolidinone?
The molecular weight of 1-(4-(Hexahydro-4,7-methanoisoindolin-2-yl)-2-butynyl)-2-pyrrolidinone is 272.19 g/mol.
Where can I buy 1-(4-(Hexahydro-4,7-methanoisoindolin-2-yl)-2-butynyl)-2-pyrrolidinone?
You can request a quote for 1-(4-(Hexahydro-4,7-methanoisoindolin-2-yl)-2-butynyl)-2-pyrrolidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-(Hexahydro-4,7-methanoisoindolin-2-yl)-2-butynyl)-2-pyrrolidinone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-(Hexahydro-4,7-methanoisoindolin-2-yl)-2-butynyl)-2-pyrrolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.