![((1S,2R,3S,3aR)-3-benzoyl-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone structure](/static/products/101/1013784-80-9.png)
((1S,2R,3S,3aR)-3-benzoyl-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone
TL;DR: ((1S,2R,3S,3aR)-3-benzoyl-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone (CAS 1013784-80-9) is a chemical compound with molecular formula C32H24N2O4 and molecular weight 500.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,3S,3aR)-1-(3-nitrobenzoyl)-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-3-yl]-phenylmethanone
Also Known As: ((1S,2R,3S,3aR)-3-benzoyl-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone, (3-nitrophenyl)[(1S,2R,3S,3aR)-2-phenyl-3-(phenylcarbonyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl]methanone, [(1S,2R,3S,3aR)-1-(3-nitrobenzoyl)-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-3-yl]-phenylmethanone
| Molecular Formula | C32H24N2O4 |
|---|---|
| Molecular Weight | 500.17 g/mol |
| LogP | 6.3446 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 500.1736 |
| Heavy Atoms | 38 |
| Complexity | 1564.918 |
Chemical Identifiers
| CAS Number | 1013784-80-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)[C@H]2[C@@H]([C@H]3C=CC4=CC=CC=C4N3[C@@H]2C(=O)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)C6=CC=CC=C6 |
Product Overview
((1S,2R,3S,3aR)-3-benzoyl-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone (CAS 1013784-80-9), with molecular formula C32H24N2O4 and molecular weight 500.17 g/mol. IUPAC: [(1S,2R,3S,3aR)-1-(3-nitrobenzoyl)-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-3-yl]-phenylmethanone.
Chemical Property Profile of ((1S,2R,3S,3aR)-3-benzoyl-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone
Property Insights of ((1S,2R,3S,3aR)-3-benzoyl-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone
The XLogP value of 6.3446 indicates that ((1S,2R,3S,3aR)-3-benzoyl-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for ((1S,2R,3S,3aR)-3-benzoyl-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone. Following Lipinski's Rule of Five, ((1S,2R,3S,3aR)-3-benzoyl-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ((1S,2R,3S,3aR)-3-benzoyl-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone?
The CAS number of ((1S,2R,3S,3aR)-3-benzoyl-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone is 1013784-80-9.
What is the molecular formula of ((1S,2R,3S,3aR)-3-benzoyl-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone?
The molecular formula of ((1S,2R,3S,3aR)-3-benzoyl-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone is C32H24N2O4.
What is the molecular weight of ((1S,2R,3S,3aR)-3-benzoyl-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone?
The molecular weight of ((1S,2R,3S,3aR)-3-benzoyl-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone is 500.17 g/mol.
Where can I buy ((1S,2R,3S,3aR)-3-benzoyl-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone?
You can request a quote for ((1S,2R,3S,3aR)-3-benzoyl-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((1S,2R,3S,3aR)-3-benzoyl-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for ((1S,2R,3S,3aR)-3-benzoyl-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.