6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one
TL;DR: 6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one (CAS 726198-93-2) is a chemical compound with molecular formula C21H22N4O3 and molecular weight 378.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-indazol-4-one
Also Known As: 6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one, 6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-1H-indazol-4(5H)-one, 6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-indazol-4-one, 6-(3,4-Dimethoxy-phenyl)-1-(4,6-dimethyl-pyrimidin-2-yl)-1,5,6,7-tetrahydro-indazol-4-one
| Molecular Formula | C21H22N4O3 |
|---|---|
| Molecular Weight | 378.17 g/mol |
| LogP | 3.20904 |
| Topological Polar Surface Area | 79.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.1692 |
| Heavy Atoms | 28 |
| Complexity | 1037.5494 |
Chemical Identifiers
| CAS Number | 726198-93-2 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N2C3=C(C=N2)C(=O)CC(C3)C4=CC(=C(C=C4)OC)OC)C |
Product Overview
6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one (CAS 726198-93-2), with molecular formula C21H22N4O3 and molecular weight 378.17 g/mol. IUPAC: 6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-indazol-4-one.
Chemical Property Profile of 6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one
Property Insights of 6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one
The XLogP value of 3.20904 indicates that 6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one. Following Lipinski's Rule of Five, 6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one has 0 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 6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one?
The CAS number of 6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one is 726198-93-2.
What is the molecular formula of 6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one?
The molecular formula of 6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one is C21H22N4O3.
What is the molecular weight of 6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one?
The molecular weight of 6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one is 378.17 g/mol.
Where can I buy 6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one?
You can request a quote for 6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.