2-Pyrrolidinone, 1-(4-(3a,4,7,7a-tetrahydro-2-isoindolinyl)-2-butynyl)-
TL;DR: 2-Pyrrolidinone, 1-(4-(3a,4,7,7a-tetrahydro-2-isoindolinyl)-2-butynyl)- (CAS 14053-09-9) is a chemical compound with molecular formula C16H22N2O and molecular weight 258.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)but-2-ynyl]pyrrolidin-2-one
Also Known As: 5-21-06-00371 (Beilstein Handbook Reference), 1-(4-(3a,4,7,7a-Tetrahydro-2-isoindolinyl)-2-butynyl)-2-pyrrolidinone, 2-Pyrrolidinone, 1-(4-(3a,4,7,7a-tetrahydro-2-isoindolinyl)-2-butynyl)-, 1-[4-(3a,4,7,7a-Tetrahydroisoindolin-2-yl)-2-butynyl]-2-pyrrolidone, 1-[4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)but-2-ynyl]pyrrolidin-2-one
| Molecular Formula | C16H22N2O |
|---|---|
| Molecular Weight | 258.17 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.17322 |
| Heavy Atoms | 19 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 14053-09-9 |
|---|---|
| SMILES | C1CC(=O)N(C1)CC#CCN2CC3CC=CCC3C2 |
| InChIKey | ISKILFGLUIDQFS-UHFFFAOYSA-N |
Product Overview
2-Pyrrolidinone, 1-(4-(3a,4,7,7a-tetrahydro-2-isoindolinyl)-2-butynyl)- (CAS 14053-09-9), with molecular formula C16H22N2O and molecular weight 258.17 g/mol. IUPAC: 1-[4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)but-2-ynyl]pyrrolidin-2-one.
Chemical Property Profile of 2-Pyrrolidinone, 1-(4-(3a,4,7,7a-tetrahydro-2-isoindolinyl)-2-butynyl)-
Property Insights of 2-Pyrrolidinone, 1-(4-(3a,4,7,7a-tetrahydro-2-isoindolinyl)-2-butynyl)-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrrolidinone, 1-(4-(3a,4,7,7a-tetrahydro-2-isoindolinyl)-2-butynyl)-. With a topological polar surface area (TPSA) of 23.6 Ų, 2-Pyrrolidinone, 1-(4-(3a,4,7,7a-tetrahydro-2-isoindolinyl)-2-butynyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyrrolidinone, 1-(4-(3a,4,7,7a-tetrahydro-2-isoindolinyl)-2-butynyl)- 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 2-Pyrrolidinone, 1-(4-(3a,4,7,7a-tetrahydro-2-isoindolinyl)-2-butynyl)-?
The CAS number of 2-Pyrrolidinone, 1-(4-(3a,4,7,7a-tetrahydro-2-isoindolinyl)-2-butynyl)- is 14053-09-9.
What is the molecular formula of 2-Pyrrolidinone, 1-(4-(3a,4,7,7a-tetrahydro-2-isoindolinyl)-2-butynyl)-?
The molecular formula of 2-Pyrrolidinone, 1-(4-(3a,4,7,7a-tetrahydro-2-isoindolinyl)-2-butynyl)- is C16H22N2O.
What is the molecular weight of 2-Pyrrolidinone, 1-(4-(3a,4,7,7a-tetrahydro-2-isoindolinyl)-2-butynyl)-?
The molecular weight of 2-Pyrrolidinone, 1-(4-(3a,4,7,7a-tetrahydro-2-isoindolinyl)-2-butynyl)- is 258.17 g/mol.
Where can I buy 2-Pyrrolidinone, 1-(4-(3a,4,7,7a-tetrahydro-2-isoindolinyl)-2-butynyl)-?
You can request a quote for 2-Pyrrolidinone, 1-(4-(3a,4,7,7a-tetrahydro-2-isoindolinyl)-2-butynyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyrrolidinone, 1-(4-(3a,4,7,7a-tetrahydro-2-isoindolinyl)-2-butynyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrrolidinone, 1-(4-(3a,4,7,7a-tetrahydro-2-isoindolinyl)-2-butynyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.