![((1S,2R,3S,3aR)-2-(4-hydroxy-3-methoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone structure](/static/products/101/1013987-81-9.png)
((1S,2R,3S,3aR)-2-(4-hydroxy-3-methoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone
TL;DR: ((1S,2R,3S,3aR)-2-(4-hydroxy-3-methoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone (CAS 1013987-81-9) is a chemical compound with molecular formula C26H21N3O7 and molecular weight 487.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,3S,3aR)-2-(4-hydroxy-3-methoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl]-(3-nitrophenyl)methanone
Also Known As: ((1S,2R,3S,3aR)-2-(4-hydroxy-3-methoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone, [(1S,2R,3S,3aR)-2-(4-hydroxy-3-methoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl](3-nitrophenyl)methanone, [(1S,2R,3S,3aR)-2-(4-hydroxy-3-methoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl]-(3-nitrophenyl)methanone
| Molecular Formula | C26H21N3O7 |
|---|---|
| Molecular Weight | 487.14 g/mol |
| LogP | 4.205 |
| Topological Polar Surface Area | 136.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 487.13794 |
| Heavy Atoms | 36 |
| Complexity | 1420.1517 |
Chemical Identifiers
| CAS Number | 1013987-81-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[C@H]2[C@@H]([C@H]3C=CC4=CC=CC=C4N3[C@@H]2C(=O)C5=CC(=CC=C5)[N+](=O)[O-])[N+](=O)[O-])O |
Product Overview
((1S,2R,3S,3aR)-2-(4-hydroxy-3-methoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone (CAS 1013987-81-9), with molecular formula C26H21N3O7 and molecular weight 487.14 g/mol. IUPAC: [(1S,2R,3S,3aR)-2-(4-hydroxy-3-methoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl]-(3-nitrophenyl)methanone.
Chemical Property Profile of ((1S,2R,3S,3aR)-2-(4-hydroxy-3-methoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone
Property Insights of ((1S,2R,3S,3aR)-2-(4-hydroxy-3-methoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone
The XLogP value of 4.205 indicates that ((1S,2R,3S,3aR)-2-(4-hydroxy-3-methoxyphenyl)-3-nitro-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 136.05 Ų falls within the moderate polarity range, balancing permeability and solubility for ((1S,2R,3S,3aR)-2-(4-hydroxy-3-methoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone. Following Lipinski's Rule of Five, ((1S,2R,3S,3aR)-2-(4-hydroxy-3-methoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ((1S,2R,3S,3aR)-2-(4-hydroxy-3-methoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone?
The CAS number of ((1S,2R,3S,3aR)-2-(4-hydroxy-3-methoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone is 1013987-81-9.
What is the molecular formula of ((1S,2R,3S,3aR)-2-(4-hydroxy-3-methoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone?
The molecular formula of ((1S,2R,3S,3aR)-2-(4-hydroxy-3-methoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone is C26H21N3O7.
What is the molecular weight of ((1S,2R,3S,3aR)-2-(4-hydroxy-3-methoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone?
The molecular weight of ((1S,2R,3S,3aR)-2-(4-hydroxy-3-methoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone is 487.14 g/mol.
Where can I buy ((1S,2R,3S,3aR)-2-(4-hydroxy-3-methoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(3-nitrophenyl)methanone?
You can request a quote for ((1S,2R,3S,3aR)-2-(4-hydroxy-3-methoxyphenyl)-3-nitro-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)-2-(4-hydroxy-3-methoxyphenyl)-3-nitro-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)-2-(4-hydroxy-3-methoxyphenyl)-3-nitro-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.