2-Cyclohexyl-N3-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-N7-(3-methylphenyl)-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamide
TL;DR: 2-Cyclohexyl-N3-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-N7-(3-methylphenyl)-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamide (CAS 1042437-10-4) is a chemical compound with molecular formula C31H41N3O4 and molecular weight 519.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclohexyl-2-N-(2,3-dimethylcyclohexyl)-6-N-(3-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
Also Known As: 2-Cyclohexyl-N3-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-N7-(3-methylphenyl)-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamide
| Molecular Formula | C31H41N3O4 |
|---|---|
| Molecular Weight | 519.31 g/mol |
| LogP | 4.35772 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 519.3097 |
| Heavy Atoms | 38 |
| Complexity | 1143.6887 |
Chemical Identifiers
| CAS Number | 1042437-10-4 |
|---|---|
| SMILES | CC1CCCC(C1C)NC(=O)C2C34C=CC(O3)C(C4C(=O)N2C5CCCCC5)C(=O)NC6=CC=CC(=C6)C |
Product Overview
2-Cyclohexyl-N3-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-N7-(3-methylphenyl)-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamide (CAS 1042437-10-4), with molecular formula C31H41N3O4 and molecular weight 519.31 g/mol. IUPAC: 3-cyclohexyl-2-N-(2,3-dimethylcyclohexyl)-6-N-(3-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide.
Chemical Property Profile of 2-Cyclohexyl-N3-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-N7-(3-methylphenyl)-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamide
Property Insights of 2-Cyclohexyl-N3-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-N7-(3-methylphenyl)-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamide
The XLogP value of 4.35772 indicates that 2-Cyclohexyl-N3-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-N7-(3-methylphenyl)-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyclohexyl-N3-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-N7-(3-methylphenyl)-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamide. Following Lipinski's Rule of Five, 2-Cyclohexyl-N3-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-N7-(3-methylphenyl)-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Cyclohexyl-N3-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-N7-(3-methylphenyl)-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamide?
The CAS number of 2-Cyclohexyl-N3-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-N7-(3-methylphenyl)-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamide is 1042437-10-4.
What is the molecular formula of 2-Cyclohexyl-N3-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-N7-(3-methylphenyl)-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamide?
The molecular formula of 2-Cyclohexyl-N3-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-N7-(3-methylphenyl)-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamide is C31H41N3O4.
What is the molecular weight of 2-Cyclohexyl-N3-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-N7-(3-methylphenyl)-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamide?
The molecular weight of 2-Cyclohexyl-N3-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-N7-(3-methylphenyl)-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamide is 519.31 g/mol.
Where can I buy 2-Cyclohexyl-N3-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-N7-(3-methylphenyl)-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamide?
You can request a quote for 2-Cyclohexyl-N3-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-N7-(3-methylphenyl)-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclohexyl-N3-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-N7-(3-methylphenyl)-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexyl-N3-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-N7-(3-methylphenyl)-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.