5-Methyl-2-quinolin-2-yl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione
TL;DR: 5-Methyl-2-quinolin-2-yl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione (CAS 460044-73-9) is a chemical compound with molecular formula C18H16N2O2 and molecular weight 292.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-quinolin-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: BAS 03236945, AJ-292/40857546, 5-methyl-2-(quinolin-2-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione, 5-Methyl-2-quinolin-2-yl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione, 5-methyl-2-quinolin-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
| Molecular Formula | C18H16N2O2 |
|---|---|
| Molecular Weight | 292.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 50.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 292.1212 |
| Heavy Atoms | 22 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 460044-73-9 |
|---|---|
| SMILES | CC1=CCC2C(C1)C(=O)N(C2=O)C3=NC4=CC=CC=C4C=C3 |
| InChIKey | UFYYVRLKKCLXAZ-UHFFFAOYSA-N |
Product Overview
5-Methyl-2-quinolin-2-yl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione (CAS 460044-73-9), with molecular formula C18H16N2O2 and molecular weight 292.12 g/mol. IUPAC: 5-methyl-2-quinolin-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of 5-Methyl-2-quinolin-2-yl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione
Property Insights of 5-Methyl-2-quinolin-2-yl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2-quinolin-2-yl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione. With a topological polar surface area (TPSA) of 50.3 Ų, 5-Methyl-2-quinolin-2-yl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-quinolin-2-yl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione has 0 hydrogen bond donor(s) and 3 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 5-Methyl-2-quinolin-2-yl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione?
The CAS number of 5-Methyl-2-quinolin-2-yl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione is 460044-73-9.
What is the molecular formula of 5-Methyl-2-quinolin-2-yl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione?
The molecular formula of 5-Methyl-2-quinolin-2-yl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione is C18H16N2O2.
What is the molecular weight of 5-Methyl-2-quinolin-2-yl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione?
The molecular weight of 5-Methyl-2-quinolin-2-yl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione is 292.12 g/mol.
Where can I buy 5-Methyl-2-quinolin-2-yl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione?
You can request a quote for 5-Methyl-2-quinolin-2-yl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-quinolin-2-yl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-quinolin-2-yl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.