![6-(3-((3-chloro-4-fluorophenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one structure](/static/products/799/799801-91-5.png)
6-(3-((3-chloro-4-fluorophenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
TL;DR: 6-(3-((3-chloro-4-fluorophenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one (CAS 799801-91-5) is a chemical compound with molecular formula C25H20ClFN4O3 and molecular weight 478.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl]-1-phenyl-6,7-dihydro-5H-pyrazolo[5,4-d]pyrimidin-4-one
Also Known As: 6-(3-((3-chloro-4-fluorophenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one, 6-[3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl]-1-phenyl-5,6-dihydro-2H-pyrazolo[3,4-d]pyrimidin-4-one, 6-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-1-phenyl-5,6,7-trihyd ropyrazolo[5,4-d]pyrimidin-4-one, 6-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-ol
| Molecular Formula | C25H20ClFN4O3 |
|---|---|
| Molecular Weight | 478.12 g/mol |
| LogP | 5.1065 |
| Topological Polar Surface Area | 77.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.1208 |
| Heavy Atoms | 34 |
| Complexity | 1359.7854 |
Chemical Identifiers
| CAS Number | 799801-91-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2NC3=C(C=NN3C4=CC=CC=C4)C(=O)N2)COC5=CC(=C(C=C5)F)Cl |
Product Overview
6-(3-((3-chloro-4-fluorophenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one (CAS 799801-91-5), with molecular formula C25H20ClFN4O3 and molecular weight 478.12 g/mol. IUPAC: 6-[3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl]-1-phenyl-6,7-dihydro-5H-pyrazolo[5,4-d]pyrimidin-4-one.
Chemical Property Profile of 6-(3-((3-chloro-4-fluorophenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
Property Insights of 6-(3-((3-chloro-4-fluorophenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
The XLogP value of 5.1065 indicates that 6-(3-((3-chloro-4-fluorophenoxy)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-((3-chloro-4-fluorophenoxy)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-((3-chloro-4-fluorophenoxy)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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-(3-((3-chloro-4-fluorophenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one?
The CAS number of 6-(3-((3-chloro-4-fluorophenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one is 799801-91-5.
What is the molecular formula of 6-(3-((3-chloro-4-fluorophenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one?
The molecular formula of 6-(3-((3-chloro-4-fluorophenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one is C25H20ClFN4O3.
What is the molecular weight of 6-(3-((3-chloro-4-fluorophenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one?
The molecular weight of 6-(3-((3-chloro-4-fluorophenoxy)methyl)-4-methoxyphenyl)-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one is 478.12 g/mol.
Where can I buy 6-(3-((3-chloro-4-fluorophenoxy)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-((3-chloro-4-fluorophenoxy)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-((3-chloro-4-fluorophenoxy)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-((3-chloro-4-fluorophenoxy)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.