1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-propynyl)-
TL;DR: 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-propynyl)- (CAS 54399-03-0) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-prop-2-ynyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: 5-21-10-00131 (Beilstein Handbook Reference), N-Propargilo imid kwasu 1,2,3,6-tetrahydroftalowego, 3a,4,7,7a-Tetrahydro-2-(2-propynyl)-1H-isoindole-1,3(2H)-dione, N-Propargilo imid kwasu 1,2,3,6-tetrahydroftalowego [Polish], 1H-ISOINDOLE-1,3(2H)-DIONE, 3a,4,7,7a-TETRAHYDRO-2-(2-PROPYNYL)-
| Molecular Formula | C11H11NO2 |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.07898 |
| Heavy Atoms | 14 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 54399-03-0 |
|---|---|
| SMILES | C#CCN1C(=O)C2CC=CCC2C1=O |
| InChIKey | QLYIQGHYFPKJMV-UHFFFAOYSA-N |
Product Overview
1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-propynyl)- (CAS 54399-03-0), with molecular formula C11H11NO2 and molecular weight 189.08 g/mol. IUPAC: 2-prop-2-ynyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-propynyl)-
Property Insights of 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-propynyl)-
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-propynyl)-. With a topological polar surface area (TPSA) of 37.4 Ų, 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-propynyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-propynyl)- 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 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-propynyl)-?
The CAS number of 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-propynyl)- is 54399-03-0.
What is the molecular formula of 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-propynyl)-?
The molecular formula of 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-propynyl)- is C11H11NO2.
What is the molecular weight of 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-propynyl)-?
The molecular weight of 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-propynyl)- is 189.08 g/mol.
Where can I buy 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-propynyl)-?
You can request a quote for 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-propynyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-propynyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-propynyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.