2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoate
TL;DR: 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoate (CAS 474376-27-7) is a chemical compound with molecular formula C29H32N2O4 and molecular weight 472.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,4-trimethyl-1H-quinolin-6-yl) 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-phenylpropanoate
Also Known As: 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoate, (2,2,4-trimethyl-1H-quinolin-6-yl) 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-phenylpropanoate, 2,2,4-trimethyl-1,2-dihydro-6-quinolinyl 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoate, 2,2,4-TRIMETHYL-1,2-DIHYDROQUINOLIN-6-YL 2-(1,3-DIOXO-OCTAHYDRO-1H-ISOINDOL-2-YL)-3-PHENYLPROPANOATE, 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(1,3-dioxohexahydro-1H-isoindol-2(3H)-yl)-3-phenylpropanoate
| Molecular Formula | C29H32N2O4 |
|---|---|
| Molecular Weight | 472.24 g/mol |
| LogP | 4.9859 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.2362 |
| Heavy Atoms | 35 |
| Complexity | 1176.4174 |
Chemical Identifiers
| CAS Number | 474376-27-7 |
|---|---|
| SMILES | CC1=CC(NC2=C1C=C(C=C2)OC(=O)C(CC3=CC=CC=C3)N4C(=O)C5CCCCC5C4=O)(C)C |
Product Overview
2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoate (CAS 474376-27-7), with molecular formula C29H32N2O4 and molecular weight 472.24 g/mol. IUPAC: (2,2,4-trimethyl-1H-quinolin-6-yl) 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-phenylpropanoate.
Chemical Property Profile of 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoate
Property Insights of 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoate
The XLogP value of 4.9859 indicates that 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoate. Following Lipinski's Rule of Five, 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoate has 1 hydrogen bond donor(s) and 5 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 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoate?
The CAS number of 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoate is 474376-27-7.
What is the molecular formula of 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoate?
The molecular formula of 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoate is C29H32N2O4.
What is the molecular weight of 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoate?
The molecular weight of 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoate is 472.24 g/mol.
Where can I buy 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoate?
You can request a quote for 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.