![6-(3-((2,5-dimethylphenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one structure](/static/products/799/799806-76-1.png)
6-(3-((2,5-dimethylphenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
TL;DR: 6-(3-((2,5-dimethylphenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one (CAS 799806-76-1) is a chemical compound with molecular formula C27H26N4O3 and molecular weight 454.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1-phenyl-6,7-dihydro-5H-pyrazolo[5,4-d]pyrimidin-4-one
Also Known As: 6-(3-((2,5-dimethylphenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one, 6-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1-phenyl-5,6-dihydro-2H-pyrazolo[3,4-d]pyrimidin-4-one, 6-{3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl}-1-phenyl-1,5,6,7-tetrahydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
| Molecular Formula | C27H26N4O3 |
|---|---|
| Molecular Weight | 454.20 g/mol |
| LogP | 4.93084 |
| Topological Polar Surface Area | 77.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.2005 |
| Heavy Atoms | 34 |
| Complexity | 1347.4999 |
Chemical Identifiers
| CAS Number | 799806-76-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)OCC2=C(C=CC(=C2)C3NC4=C(C=NN4C5=CC=CC=C5)C(=O)N3)OC |
Product Overview
6-(3-((2,5-dimethylphenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one (CAS 799806-76-1), with molecular formula C27H26N4O3 and molecular weight 454.20 g/mol. IUPAC: 6-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1-phenyl-6,7-dihydro-5H-pyrazolo[5,4-d]pyrimidin-4-one.
Chemical Property Profile of 6-(3-((2,5-dimethylphenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
Property Insights of 6-(3-((2,5-dimethylphenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
The XLogP value of 4.93084 indicates that 6-(3-((2,5-dimethylphenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(3-((2,5-dimethylphenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one. Following Lipinski's Rule of Five, 6-(3-((2,5-dimethylphenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one has 2 hydrogen bond donor(s) and 5 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-((2,5-dimethylphenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one?
The CAS number of 6-(3-((2,5-dimethylphenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one is 799806-76-1.
What is the molecular formula of 6-(3-((2,5-dimethylphenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one?
The molecular formula of 6-(3-((2,5-dimethylphenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one is C27H26N4O3.
What is the molecular weight of 6-(3-((2,5-dimethylphenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one?
The molecular weight of 6-(3-((2,5-dimethylphenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one is 454.20 g/mol.
Where can I buy 6-(3-((2,5-dimethylphenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one?
You can request a quote for 6-(3-((2,5-dimethylphenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-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-((2,5-dimethylphenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(3-((2,5-dimethylphenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.