![(1'S,2'S,3R,3'aR)-2'-(2,5-dimethoxybenzoyl)-1'-(3-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one structure](/static/products/117/1177800-38-2.png)
(1'S,2'S,3R,3'aR)-2'-(2,5-dimethoxybenzoyl)-1'-(3-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
TL;DR: (1'S,2'S,3R,3'aR)-2'-(2,5-dimethoxybenzoyl)-1'-(3-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one (CAS 1177800-38-2) is a chemical compound with molecular formula C36H30N2O6 and molecular weight 586.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1'S,2'S,3R,3'aR)-2'-(2,5-dimethoxybenzoyl)-1'-(3-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
Also Known As: (1'S,2'S,3R,3'aR)-2'-(2,5-dimethoxybenzoyl)-1'-(3-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one, (1'S,2'S,3R,3a'R)-2'-(2,5-dimethoxybenzoyl)-1'-(3-methoxybenzoyl)-2',3a'-dihydro-1'H-spiro[indoline-3,3'-pyrrolo[1,2-a]quinolin]-2-one
| Molecular Formula | C36H30N2O6 |
|---|---|
| Molecular Weight | 586.21 g/mol |
| LogP | 5.5685 |
| Topological Polar Surface Area | 94.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 586.2104 |
| Heavy Atoms | 44 |
| Complexity | 1865.0935 |
Chemical Identifiers
| CAS Number | 1177800-38-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)C(=O)[C@@H]2[C@H](N3[C@@H]([C@]24C5=CC=CC=C5NC4=O)C=CC6=CC=CC=C63)C(=O)C7=CC(=CC=C7)OC |
Product Overview
(1'S,2'S,3R,3'aR)-2'-(2,5-dimethoxybenzoyl)-1'-(3-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one (CAS 1177800-38-2), with molecular formula C36H30N2O6 and molecular weight 586.21 g/mol. IUPAC: (1'S,2'S,3R,3'aR)-2'-(2,5-dimethoxybenzoyl)-1'-(3-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one.
Chemical Property Profile of (1'S,2'S,3R,3'aR)-2'-(2,5-dimethoxybenzoyl)-1'-(3-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
Property Insights of (1'S,2'S,3R,3'aR)-2'-(2,5-dimethoxybenzoyl)-1'-(3-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
The XLogP value of 5.5685 indicates that (1'S,2'S,3R,3'aR)-2'-(2,5-dimethoxybenzoyl)-1'-(3-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.17 Ų falls within the moderate polarity range, balancing permeability and solubility for (1'S,2'S,3R,3'aR)-2'-(2,5-dimethoxybenzoyl)-1'-(3-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one. Following Lipinski's Rule of Five, (1'S,2'S,3R,3'aR)-2'-(2,5-dimethoxybenzoyl)-1'-(3-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1'S,2'S,3R,3'aR)-2'-(2,5-dimethoxybenzoyl)-1'-(3-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one?
The CAS number of (1'S,2'S,3R,3'aR)-2'-(2,5-dimethoxybenzoyl)-1'-(3-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one is 1177800-38-2.
What is the molecular formula of (1'S,2'S,3R,3'aR)-2'-(2,5-dimethoxybenzoyl)-1'-(3-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one?
The molecular formula of (1'S,2'S,3R,3'aR)-2'-(2,5-dimethoxybenzoyl)-1'-(3-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one is C36H30N2O6.
What is the molecular weight of (1'S,2'S,3R,3'aR)-2'-(2,5-dimethoxybenzoyl)-1'-(3-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one?
The molecular weight of (1'S,2'S,3R,3'aR)-2'-(2,5-dimethoxybenzoyl)-1'-(3-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one is 586.21 g/mol.
Where can I buy (1'S,2'S,3R,3'aR)-2'-(2,5-dimethoxybenzoyl)-1'-(3-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one?
You can request a quote for (1'S,2'S,3R,3'aR)-2'-(2,5-dimethoxybenzoyl)-1'-(3-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1'S,2'S,3R,3'aR)-2'-(2,5-dimethoxybenzoyl)-1'-(3-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one?
Yes, KEHONG BIO provides custom synthesis services for (1'S,2'S,3R,3'aR)-2'-(2,5-dimethoxybenzoyl)-1'-(3-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.