![4-[(2-methylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine structure](/static/products/578/578718-32-8.png)
4-[(2-methylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
TL;DR: 4-[(2-methylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine (CAS 578718-32-8) is a chemical compound with molecular formula C19H16N4S and molecular weight 332.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-methylphenyl)methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
Also Known As: 4-((2-methylbenzyl)thio)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine, 4-[(2-methylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine, 4-[(2-methylphenyl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine
| Molecular Formula | C19H16N4S |
|---|---|
| Molecular Weight | 332.11 g/mol |
| LogP | 4.41622 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.10956 |
| Heavy Atoms | 24 |
| Complexity | 979.0125 |
Chemical Identifiers
| CAS Number | 578718-32-8 |
|---|---|
| SMILES | CC1=CC=CC=C1CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4 |
Product Overview
4-[(2-methylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine (CAS 578718-32-8), with molecular formula C19H16N4S and molecular weight 332.11 g/mol. IUPAC: 4-[(2-methylphenyl)methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 4-[(2-methylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Property Insights of 4-[(2-methylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
The XLogP value of 4.41622 indicates that 4-[(2-methylbenzyl)sulfanyl]-1-phenyl-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-[(2-methylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(2-methylbenzyl)sulfanyl]-1-phenyl-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-[(2-methylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine?
The CAS number of 4-[(2-methylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine is 578718-32-8.
What is the molecular formula of 4-[(2-methylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine?
The molecular formula of 4-[(2-methylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine is C19H16N4S.
What is the molecular weight of 4-[(2-methylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine?
The molecular weight of 4-[(2-methylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine is 332.11 g/mol.
Where can I buy 4-[(2-methylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine?
You can request a quote for 4-[(2-methylbenzyl)sulfanyl]-1-phenyl-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-[(2-methylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-methylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.