![(3aR,4S,9aR,9bS)-2-(4-methylphenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile structure](/static/products/121/1214633-39-2.webp)
(3aR,4S,9aR,9bS)-2-(4-methylphenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile
TL;DR: (3aR,4S,9aR,9bS)-2-(4-methylphenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile (CAS 1214633-39-2) is a chemical compound with molecular formula C25H19N3O3 and molecular weight 409.14264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3aR,4S,9aR,9bS)-4-benzoyl-2-(4-methylphenyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[3,4-a]indolizine-8-carbonitrile
Also Known As: (3aR,4S,9aR,9bS)-2-(4-methylphenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile, (3aR,4S,9aR,9bS)-4-benzoyl-1,3-dioxo-2-(p-tolyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile, (3aR,4S,9aR,9bS)-4-benzoyl-2-(4-methylphenyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[3,4-a]indolizine-8-carbonitrile
Technical Specifications
| Molecular Formula | C25H19N3O3 |
| Molecular Weight | 409.14264 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 81.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.14264 Da |
| Heavy Atoms | 31 |
| Complexity | 898.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H]4C=C(C=CN4[C@@H]([C@@H]3C2=O)C(=O)C5=CC=CC=C5)C#N |
| InChIKey | QXAZVKPNPDQSMN-YSFYHYPLSA-N |
Chemical Property Profile of (3aR,4S,9aR,9bS)-2-(4-methylphenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile
Property Insights of (3aR,4S,9aR,9bS)-2-(4-methylphenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aR,4S,9aR,9bS)-2-(4-methylphenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aR,4S,9aR,9bS)-2-(4-methylphenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile. Following Lipinski's Rule of Five, (3aR,4S,9aR,9bS)-2-(4-methylphenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3aR,4S,9aR,9bS)-2-(4-methylphenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile?
The CAS number of (3aR,4S,9aR,9bS)-2-(4-methylphenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile is 1214633-39-2.
What is the molecular formula of (3aR,4S,9aR,9bS)-2-(4-methylphenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile?
The molecular formula of (3aR,4S,9aR,9bS)-2-(4-methylphenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile is C25H19N3O3.
What is the molecular weight of (3aR,4S,9aR,9bS)-2-(4-methylphenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile?
The molecular weight of (3aR,4S,9aR,9bS)-2-(4-methylphenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile is 409.14264 g/mol.
Where can I buy (3aR,4S,9aR,9bS)-2-(4-methylphenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile?
You can request a quote for (3aR,4S,9aR,9bS)-2-(4-methylphenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3aR,4S,9aR,9bS)-2-(4-methylphenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile?
Yes, CoreyChem provides custom synthesis services for (3aR,4S,9aR,9bS)-2-(4-methylphenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.