4-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(3-methylphenyl)benzamide
TL;DR: 4-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(3-methylphenyl)benzamide (CAS 6587-43-5) is a chemical compound with molecular formula C23H22N2O3 and molecular weight 374.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(3-methylphenyl)benzamide
Also Known As: 4-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(3-methylphenyl)benzamide, 4-(5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(3-methylphenyl)benzamide, [4-(5-methyl-1,3-dioxo(4,7,3a,7a-tetrahydroisoindol-2-yl))phenyl]-N-(3-methylp henyl)carboxamide
| Molecular Formula | C23H22N2O3 |
|---|---|
| Molecular Weight | 374.16 g/mol |
| LogP | 4.09302 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.16306 |
| Heavy Atoms | 28 |
| Complexity | 991.162 |
Chemical Identifiers
| CAS Number | 6587-43-5 |
|---|---|
| SMILES | CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)C |
Product Overview
4-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(3-methylphenyl)benzamide (CAS 6587-43-5), with molecular formula C23H22N2O3 and molecular weight 374.16 g/mol. IUPAC: 4-(5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(3-methylphenyl)benzamide.
Chemical Property Profile of 4-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(3-methylphenyl)benzamide
Property Insights of 4-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(3-methylphenyl)benzamide
The XLogP value of 4.09302 indicates that 4-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(3-methylphenyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(3-methylphenyl)benzamide. Following Lipinski's Rule of Five, 4-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(3-methylphenyl)benzamide has 1 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 4-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(3-methylphenyl)benzamide?
The CAS number of 4-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(3-methylphenyl)benzamide is 6587-43-5.
What is the molecular formula of 4-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(3-methylphenyl)benzamide?
The molecular formula of 4-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(3-methylphenyl)benzamide is C23H22N2O3.
What is the molecular weight of 4-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(3-methylphenyl)benzamide?
The molecular weight of 4-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(3-methylphenyl)benzamide is 374.16 g/mol.
Where can I buy 4-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(3-methylphenyl)benzamide?
You can request a quote for 4-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(3-methylphenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(3-methylphenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(3-methylphenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.