![5-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one structure](/static/products/866/866844-56-6.png)
5-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
TL;DR: 5-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one (CAS 866844-56-6) is a chemical compound with molecular formula C13H10ClFN4O and molecular weight 292.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
Also Known As: 5-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one, F1605-0981, 5-(2-chloro-6-fluorobenzyl)-1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, 5-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-one
| Molecular Formula | C13H10ClFN4O |
|---|---|
| Molecular Weight | 292.05 g/mol |
| LogP | 1.9708 |
| Topological Polar Surface Area | 52.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.0527 |
| Heavy Atoms | 20 |
| Complexity | 834.9387 |
Chemical Identifiers
| CAS Number | 866844-56-6 |
|---|---|
| SMILES | CN1C2=C(C=N1)C(=O)N(C=N2)CC3=C(C=CC=C3Cl)F |
Product Overview
5-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one (CAS 866844-56-6), with molecular formula C13H10ClFN4O and molecular weight 292.05 g/mol. IUPAC: 5-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.
Chemical Property Profile of 5-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
Property Insights of 5-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
The XLogP value of 1.9708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one. With a topological polar surface area (TPSA) of 52.71 Ų, 5-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one has 0 hydrogen bond donor(s) and 3 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 5-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one?
The CAS number of 5-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one is 866844-56-6.
What is the molecular formula of 5-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one?
The molecular formula of 5-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one is C13H10ClFN4O.
What is the molecular weight of 5-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one?
The molecular weight of 5-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one is 292.05 g/mol.
Where can I buy 5-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one?
You can request a quote for 5-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.