(1-ethyl-4-nitro-1H-pyrazol-3-yl)(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone
TL;DR: (1-ethyl-4-nitro-1H-pyrazol-3-yl)(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone (CAS 1212349-91-1) is a chemical compound with molecular formula C22H28N4O5 and molecular weight 428.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4a-hydroxy-1-(2-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(1-ethyl-4-nitropyrazol-3-yl)methanone
Also Known As: (1-ethyl-4-nitro-1H-pyrazol-3-yl)(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone, (1-ethyl-4-nitro-1H-pyrazol-3-yl)[4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]methanone, [4a-hydroxy-1-(2-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(1-ethyl-4-nitropyrazol-3-yl)methanone
| Molecular Formula | C22H28N4O5 |
|---|---|
| Molecular Weight | 428.21 g/mol |
| LogP | 3.3283 |
| Topological Polar Surface Area | 110.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.20596 |
| Heavy Atoms | 31 |
| Complexity | 990.03094 |
Chemical Identifiers
| CAS Number | 1212349-91-1 |
|---|---|
| SMILES | CCN1C=C(C(=N1)C(=O)N2CCC3(CCCCC3C2C4=CC=CC=C4OC)O)[N+](=O)[O-] |
Product Overview
(1-ethyl-4-nitro-1H-pyrazol-3-yl)(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone (CAS 1212349-91-1), with molecular formula C22H28N4O5 and molecular weight 428.21 g/mol. IUPAC: [4a-hydroxy-1-(2-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(1-ethyl-4-nitropyrazol-3-yl)methanone.
Chemical Property Profile of (1-ethyl-4-nitro-1H-pyrazol-3-yl)(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone
Property Insights of (1-ethyl-4-nitro-1H-pyrazol-3-yl)(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone
The XLogP value of 3.3283 indicates that (1-ethyl-4-nitro-1H-pyrazol-3-yl)(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.73 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-ethyl-4-nitro-1H-pyrazol-3-yl)(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone. Following Lipinski's Rule of Five, (1-ethyl-4-nitro-1H-pyrazol-3-yl)(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone has 1 hydrogen bond donor(s) and 6 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 (1-ethyl-4-nitro-1H-pyrazol-3-yl)(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone?
The CAS number of (1-ethyl-4-nitro-1H-pyrazol-3-yl)(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone is 1212349-91-1.
What is the molecular formula of (1-ethyl-4-nitro-1H-pyrazol-3-yl)(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone?
The molecular formula of (1-ethyl-4-nitro-1H-pyrazol-3-yl)(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone is C22H28N4O5.
What is the molecular weight of (1-ethyl-4-nitro-1H-pyrazol-3-yl)(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone?
The molecular weight of (1-ethyl-4-nitro-1H-pyrazol-3-yl)(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone is 428.21 g/mol.
Where can I buy (1-ethyl-4-nitro-1H-pyrazol-3-yl)(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone?
You can request a quote for (1-ethyl-4-nitro-1H-pyrazol-3-yl)(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-ethyl-4-nitro-1H-pyrazol-3-yl)(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (1-ethyl-4-nitro-1H-pyrazol-3-yl)(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.