![(1R,2R,3R,3aS)-methyl 1-(4-acetoxybenzoyl)-3-cyano-2-(4-(dimethylamino)phenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate structure](/static/products/101/1013769-00-0.webp)
(1R,2R,3R,3aS)-methyl 1-(4-acetoxybenzoyl)-3-cyano-2-(4-(dimethylamino)phenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
TL;DR: (1R,2R,3R,3aS)-methyl 1-(4-acetoxybenzoyl)-3-cyano-2-(4-(dimethylamino)phenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate (CAS 1013769-00-0) is a chemical compound with molecular formula C32H29N3O5 and molecular weight 535.2107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (1R,2R,3R,3aS)-1-(4-acetyloxybenzoyl)-3-cyano-2-[4-(dimethylamino)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3-carboxylate
Also Known As: (1R,2R,3R,3aS)-methyl 1-(4-acetoxybenzoyl)-3-cyano-2-(4-(dimethylamino)phenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate, methyl (1R,2R,3R,3aS)-1-(4-acetyloxybenzoyl)-3-cyano-2-(4-dimethylaminophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3-carboxylate, methyl (1R,2R,3R,3aS)-1-{[4-(acetyloxy)phenyl]carbonyl}-3-cyano-2-[4-(dimethylamino)phenyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Technical Specifications
| Molecular Formula | C32H29N3O5 |
| Molecular Weight | 535.2107 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 99.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 535.2107 Da |
| Heavy Atoms | 40 |
| Complexity | 1050.0 |
| SMILES | CC(=O)OC1=CC=C(C=C1)C(=O)[C@H]2[C@@H]([C@@]([C@H]3N2C4=CC=CC=C4C=C3)(C#N)C(=O)OC)C5=CC=C(C=C5)N(C)C |
| InChIKey | WRCGHEMWUFRQPX-PBLVZDHJSA-N |
Chemical Property Profile of (1R,2R,3R,3aS)-methyl 1-(4-acetoxybenzoyl)-3-cyano-2-(4-(dimethylamino)phenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Property Insights of (1R,2R,3R,3aS)-methyl 1-(4-acetoxybenzoyl)-3-cyano-2-(4-(dimethylamino)phenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
The XLogP value of 4.9 indicates that (1R,2R,3R,3aS)-methyl 1-(4-acetoxybenzoyl)-3-cyano-2-(4-(dimethylamino)phenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R,2R,3R,3aS)-methyl 1-(4-acetoxybenzoyl)-3-cyano-2-(4-(dimethylamino)phenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate. Following Lipinski's Rule of Five, (1R,2R,3R,3aS)-methyl 1-(4-acetoxybenzoyl)-3-cyano-2-(4-(dimethylamino)phenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (1R,2R,3R,3aS)-methyl 1-(4-acetoxybenzoyl)-3-cyano-2-(4-(dimethylamino)phenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate?
The CAS number of (1R,2R,3R,3aS)-methyl 1-(4-acetoxybenzoyl)-3-cyano-2-(4-(dimethylamino)phenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate is 1013769-00-0.
What is the molecular formula of (1R,2R,3R,3aS)-methyl 1-(4-acetoxybenzoyl)-3-cyano-2-(4-(dimethylamino)phenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate?
The molecular formula of (1R,2R,3R,3aS)-methyl 1-(4-acetoxybenzoyl)-3-cyano-2-(4-(dimethylamino)phenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate is C32H29N3O5.
What is the molecular weight of (1R,2R,3R,3aS)-methyl 1-(4-acetoxybenzoyl)-3-cyano-2-(4-(dimethylamino)phenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate?
The molecular weight of (1R,2R,3R,3aS)-methyl 1-(4-acetoxybenzoyl)-3-cyano-2-(4-(dimethylamino)phenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate is 535.2107 g/mol.
Where can I buy (1R,2R,3R,3aS)-methyl 1-(4-acetoxybenzoyl)-3-cyano-2-(4-(dimethylamino)phenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate?
You can request a quote for (1R,2R,3R,3aS)-methyl 1-(4-acetoxybenzoyl)-3-cyano-2-(4-(dimethylamino)phenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1R,2R,3R,3aS)-methyl 1-(4-acetoxybenzoyl)-3-cyano-2-(4-(dimethylamino)phenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for (1R,2R,3R,3aS)-methyl 1-(4-acetoxybenzoyl)-3-cyano-2-(4-(dimethylamino)phenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.