![4-(3-hydroxy-7,7-dimethyl-5-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)-2-methoxyphenyl acetate structure](/static/products/7089/708992-13-6.webp)
4-(3-hydroxy-7,7-dimethyl-5-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)-2-methoxyphenyl acetate
TL;DR: 4-(3-hydroxy-7,7-dimethyl-5-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)-2-methoxyphenyl acetate (CAS 708992-13-6) is a chemical compound with molecular formula C27H27N3O5 and molecular weight 473.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(7,7-dimethyl-3,5-dioxo-2-phenyl-4,6,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinolin-4-yl)-2-methoxyphenyl] acetate
Also Known As: 4-(3-hydroxy-7,7-dimethyl-5-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)-2-methoxyphenyl acetate, [4-(7,7-dimethyl-3,5-dioxo-2-phenyl-4,6,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinolin-4-yl)-2-methoxyphenyl] acetate, 4-(3,5-dihydroxy-7,7-dimethyl-2-phenyl-4,6,7,8-tetrahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)-2-methoxyphenyl acetate
| Molecular Formula | C27H27N3O5 |
|---|---|
| Molecular Weight | 473.20 g/mol |
| LogP | 4.3001 |
| Topological Polar Surface Area | 102.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 473.19507 |
| Heavy Atoms | 35 |
| Complexity | 1428.7386 |
Chemical Identifiers
| CAS Number | 708992-13-6 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC4=C2C(=O)N(N4)C5=CC=CC=C5)OC |
Product Overview
4-(3-hydroxy-7,7-dimethyl-5-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)-2-methoxyphenyl acetate (CAS 708992-13-6), with molecular formula C27H27N3O5 and molecular weight 473.20 g/mol. IUPAC: [4-(7,7-dimethyl-3,5-dioxo-2-phenyl-4,6,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinolin-4-yl)-2-methoxyphenyl] acetate.
Chemical Property Profile of 4-(3-hydroxy-7,7-dimethyl-5-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)-2-methoxyphenyl acetate
Property Insights of 4-(3-hydroxy-7,7-dimethyl-5-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)-2-methoxyphenyl acetate
The XLogP value of 4.3001 indicates that 4-(3-hydroxy-7,7-dimethyl-5-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)-2-methoxyphenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-hydroxy-7,7-dimethyl-5-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)-2-methoxyphenyl acetate. Following Lipinski's Rule of Five, 4-(3-hydroxy-7,7-dimethyl-5-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)-2-methoxyphenyl acetate 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 4-(3-hydroxy-7,7-dimethyl-5-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)-2-methoxyphenyl acetate?
The CAS number of 4-(3-hydroxy-7,7-dimethyl-5-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)-2-methoxyphenyl acetate is 708992-13-6.
What is the molecular formula of 4-(3-hydroxy-7,7-dimethyl-5-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)-2-methoxyphenyl acetate?
The molecular formula of 4-(3-hydroxy-7,7-dimethyl-5-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)-2-methoxyphenyl acetate is C27H27N3O5.
What is the molecular weight of 4-(3-hydroxy-7,7-dimethyl-5-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)-2-methoxyphenyl acetate?
The molecular weight of 4-(3-hydroxy-7,7-dimethyl-5-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)-2-methoxyphenyl acetate is 473.20 g/mol.
Where can I buy 4-(3-hydroxy-7,7-dimethyl-5-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)-2-methoxyphenyl acetate?
You can request a quote for 4-(3-hydroxy-7,7-dimethyl-5-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)-2-methoxyphenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-hydroxy-7,7-dimethyl-5-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)-2-methoxyphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-hydroxy-7,7-dimethyl-5-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)-2-methoxyphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.