6-(3,4-dimethoxyphenyl)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one
TL;DR: 6-(3,4-dimethoxyphenyl)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one (CAS 886159-04-2) is a chemical compound with molecular formula C16H18N2O3 and molecular weight 286.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,4-dimethoxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one
Also Known As: 6-(3,4-dimethoxyphenyl)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one, 6-(3,4-dimethoxyphenyl)-3-methyl-6,7-dihydro-1H-indazol-4(5H)-one, 6-(3,4-dimethoxyphenyl)-3-methyl-1H-5,6,7-trihydroindazol-4-one, 6-(3,4-dimethoxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one
| Molecular Formula | C16H18N2O3 |
|---|---|
| Molecular Weight | 286.13 g/mol |
| LogP | 2.64802 |
| Topological Polar Surface Area | 64.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.13174 |
| Heavy Atoms | 21 |
| Complexity | 690.8257 |
Chemical Identifiers
| CAS Number | 886159-04-2 |
|---|---|
| SMILES | CC1=C2C(=NN1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC |
Product Overview
6-(3,4-dimethoxyphenyl)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one (CAS 886159-04-2), with molecular formula C16H18N2O3 and molecular weight 286.13 g/mol. IUPAC: 6-(3,4-dimethoxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one.
Chemical Property Profile of 6-(3,4-dimethoxyphenyl)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Property Insights of 6-(3,4-dimethoxyphenyl)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one
The XLogP value of 2.64802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(3,4-dimethoxyphenyl)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one. The TPSA of 64.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(3,4-dimethoxyphenyl)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one. Following Lipinski's Rule of Five, 6-(3,4-dimethoxyphenyl)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one has 1 hydrogen bond donor(s) and 4 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)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one?
The CAS number of 6-(3,4-dimethoxyphenyl)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one is 886159-04-2.
What is the molecular formula of 6-(3,4-dimethoxyphenyl)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one?
The molecular formula of 6-(3,4-dimethoxyphenyl)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one is C16H18N2O3.
What is the molecular weight of 6-(3,4-dimethoxyphenyl)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one?
The molecular weight of 6-(3,4-dimethoxyphenyl)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one is 286.13 g/mol.
Where can I buy 6-(3,4-dimethoxyphenyl)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one?
You can request a quote for 6-(3,4-dimethoxyphenyl)-3-methyl-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)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(3,4-dimethoxyphenyl)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.