![4-[(3-fluorobenzyl)sulfanyl]-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine structure](/static/products/577/577985-28-5.png)
4-[(3-fluorobenzyl)sulfanyl]-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine
TL;DR: 4-[(3-fluorobenzyl)sulfanyl]-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine (CAS 577985-28-5) is a chemical compound with molecular formula C19H15FN4S and molecular weight 350.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
Also Known As: 4-((3-fluorobenzyl)thio)-1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidine, 4-[(3-fluorobenzyl)sulfanyl]-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine, 4-[(3-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine
| Molecular Formula | C19H15FN4S |
|---|---|
| Molecular Weight | 350.10 g/mol |
| LogP | 4.55532 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.10016 |
| Heavy Atoms | 25 |
| Complexity | 1027.2208 |
Chemical Identifiers
| CAS Number | 577985-28-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=CC(=CC=C4)F |
Product Overview
4-[(3-fluorobenzyl)sulfanyl]-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine (CAS 577985-28-5), with molecular formula C19H15FN4S and molecular weight 350.10 g/mol. IUPAC: 4-[(3-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 4-[(3-fluorobenzyl)sulfanyl]-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine
Property Insights of 4-[(3-fluorobenzyl)sulfanyl]-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine
The XLogP value of 4.55532 indicates that 4-[(3-fluorobenzyl)sulfanyl]-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 4-[(3-fluorobenzyl)sulfanyl]-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(3-fluorobenzyl)sulfanyl]-1-(4-methylphenyl)-1H-pyrazolo[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-[(3-fluorobenzyl)sulfanyl]-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine?
The CAS number of 4-[(3-fluorobenzyl)sulfanyl]-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine is 577985-28-5.
What is the molecular formula of 4-[(3-fluorobenzyl)sulfanyl]-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine?
The molecular formula of 4-[(3-fluorobenzyl)sulfanyl]-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine is C19H15FN4S.
What is the molecular weight of 4-[(3-fluorobenzyl)sulfanyl]-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine?
The molecular weight of 4-[(3-fluorobenzyl)sulfanyl]-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine is 350.10 g/mol.
Where can I buy 4-[(3-fluorobenzyl)sulfanyl]-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine?
You can request a quote for 4-[(3-fluorobenzyl)sulfanyl]-1-(4-methylphenyl)-1H-pyrazolo[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-[(3-fluorobenzyl)sulfanyl]-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-fluorobenzyl)sulfanyl]-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.