3-hydroxy-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one
TL;DR: 3-hydroxy-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one (CAS 1005273-39-1) is a chemical compound with molecular formula C24H24N4O3 and molecular weight 416.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one
Also Known As: 3-hydroxy-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one, 3-hydroxy-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one, 3-hydroxy-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-4-(1H-1,2,4-triazol-1-yl)cyclohex-2-en-1-one, 2-Cyclohexen-1-one, 3-hydroxy-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4-(1H-1,2,4-triazol-1-yl)-
| Molecular Formula | C24H24N4O3 |
|---|---|
| Molecular Weight | 416.18 g/mol |
| LogP | 3.2835 |
| Topological Polar Surface Area | 89.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.18484 |
| Heavy Atoms | 31 |
| Complexity | 1121.9908 |
Chemical Identifiers
| CAS Number | 1005273-39-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(=O)C(=C(C2N3C=NC=N3)O)C4C5=CC=CC=C5CCN4 |
Product Overview
3-hydroxy-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one (CAS 1005273-39-1), with molecular formula C24H24N4O3 and molecular weight 416.18 g/mol. IUPAC: 3-hydroxy-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one.
Chemical Property Profile of 3-hydroxy-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one
Property Insights of 3-hydroxy-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one
The XLogP value of 3.2835 indicates that 3-hydroxy-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-hydroxy-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one. Following Lipinski's Rule of Five, 3-hydroxy-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one has 2 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 3-hydroxy-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one?
The CAS number of 3-hydroxy-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one is 1005273-39-1.
What is the molecular formula of 3-hydroxy-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one?
The molecular formula of 3-hydroxy-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one is C24H24N4O3.
What is the molecular weight of 3-hydroxy-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one?
The molecular weight of 3-hydroxy-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one is 416.18 g/mol.
Where can I buy 3-hydroxy-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one?
You can request a quote for 3-hydroxy-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-hydroxy-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxy-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.