![4-(4-Chlorophenoxy)-1-methylpyrazolo[3,4-d]pyrimidine structure](/static/products/6950/6950-45-4.webp)
4-(4-Chlorophenoxy)-1-methylpyrazolo[3,4-d]pyrimidine
TL;DR: 4-(4-Chlorophenoxy)-1-methylpyrazolo[3,4-d]pyrimidine (CAS 6950-45-4) is a chemical compound with molecular formula C12H9ClN4O and molecular weight 260.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenoxy)-1-methylpyrazolo[5,4-d]pyrimidine
Also Known As: 4-(4-chlorophenoxy)-1-methyl-1h-pyrazolo[3,4-d]pyrimidine, 4-(4-chlorophenoxy)-1-methylpyrazolo[3,4-d]pyrimidine, 4-(4-chloro-phenoxy)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine
| Molecular Formula | C12H9ClN4O |
|---|---|
| Molecular Weight | 260.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 52.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.04648 |
| Heavy Atoms | 18 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 6950-45-4 |
|---|---|
| SMILES | CN1C2=C(C=N1)C(=NC=N2)OC3=CC=C(C=C3)Cl |
| InChIKey | LLXBXTDAGKMBAK-UHFFFAOYSA-N |
Product Overview
4-(4-Chlorophenoxy)-1-methylpyrazolo[3,4-d]pyrimidine (CAS 6950-45-4), with molecular formula C12H9ClN4O and molecular weight 260.05 g/mol. IUPAC: 4-(4-chlorophenoxy)-1-methylpyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 4-(4-Chlorophenoxy)-1-methylpyrazolo[3,4-d]pyrimidine
Property Insights of 4-(4-Chlorophenoxy)-1-methylpyrazolo[3,4-d]pyrimidine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Chlorophenoxy)-1-methylpyrazolo[3,4-d]pyrimidine. With a topological polar surface area (TPSA) of 52.8 Ų, 4-(4-Chlorophenoxy)-1-methylpyrazolo[3,4-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorophenoxy)-1-methylpyrazolo[3,4-d]pyrimidine has 0 hydrogen bond donor(s) and 4 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-(4-Chlorophenoxy)-1-methylpyrazolo[3,4-d]pyrimidine?
The CAS number of 4-(4-Chlorophenoxy)-1-methylpyrazolo[3,4-d]pyrimidine is 6950-45-4.
What is the molecular formula of 4-(4-Chlorophenoxy)-1-methylpyrazolo[3,4-d]pyrimidine?
The molecular formula of 4-(4-Chlorophenoxy)-1-methylpyrazolo[3,4-d]pyrimidine is C12H9ClN4O.
What is the molecular weight of 4-(4-Chlorophenoxy)-1-methylpyrazolo[3,4-d]pyrimidine?
The molecular weight of 4-(4-Chlorophenoxy)-1-methylpyrazolo[3,4-d]pyrimidine is 260.05 g/mol.
Where can I buy 4-(4-Chlorophenoxy)-1-methylpyrazolo[3,4-d]pyrimidine?
You can request a quote for 4-(4-Chlorophenoxy)-1-methylpyrazolo[3,4-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chlorophenoxy)-1-methylpyrazolo[3,4-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenoxy)-1-methylpyrazolo[3,4-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.