![5-(3-Chlorophenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one structure](/static/products/883/88320-58-5.png)
5-(3-Chlorophenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one
TL;DR: 5-(3-Chlorophenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one (CAS 88320-58-5) is a chemical compound with molecular formula C13H11ClN4O and molecular weight 274.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-chlorophenyl)-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one
Also Known As: 5-(3-chlorophenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one, 5-(3-chlorophenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-on, 5-(3-Chlorophenyl)-1,6-dimethyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
| Molecular Formula | C13H11ClN4O |
|---|---|
| Molecular Weight | 274.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.06213 |
| Heavy Atoms | 19 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 88320-58-5 |
|---|---|
| SMILES | CC1=NC2=C(C=NN2C)C(=O)N1C3=CC(=CC=C3)Cl |
| InChIKey | AATOYQODLAJBAJ-UHFFFAOYSA-N |
Product Overview
5-(3-Chlorophenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one (CAS 88320-58-5), with molecular formula C13H11ClN4O and molecular weight 274.06 g/mol. IUPAC: 5-(3-chlorophenyl)-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one.
Chemical Property Profile of 5-(3-Chlorophenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one
Property Insights of 5-(3-Chlorophenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Chlorophenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one. With a topological polar surface area (TPSA) of 50.5 Ų, 5-(3-Chlorophenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-Chlorophenyl)-1,6-dimethylpyrazolo[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-(3-Chlorophenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one?
The CAS number of 5-(3-Chlorophenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one is 88320-58-5.
What is the molecular formula of 5-(3-Chlorophenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one?
The molecular formula of 5-(3-Chlorophenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one is C13H11ClN4O.
What is the molecular weight of 5-(3-Chlorophenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one?
The molecular weight of 5-(3-Chlorophenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one is 274.06 g/mol.
Where can I buy 5-(3-Chlorophenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one?
You can request a quote for 5-(3-Chlorophenyl)-1,6-dimethylpyrazolo[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-(3-Chlorophenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Chlorophenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.