![4-[(4-tert-butylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine structure](/static/products/850/850230-77-2.png)
4-[(4-tert-butylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
TL;DR: 4-[(4-tert-butylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine (CAS 850230-77-2) is a chemical compound with molecular formula C22H22N4S and molecular weight 374.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-tert-butylphenyl)methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
Also Known As: 4-((4-(tert-butyl)benzyl)thio)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine, 4-[(4-tert-butylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine, 4-[(4-tert-butylphenyl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine
| Molecular Formula | C22H22N4S |
|---|---|
| Molecular Weight | 374.16 g/mol |
| LogP | 5.4053 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.15652 |
| Heavy Atoms | 27 |
| Complexity | 1047.318 |
Chemical Identifiers
| CAS Number | 850230-77-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4 |
Product Overview
4-[(4-tert-butylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine (CAS 850230-77-2), with molecular formula C22H22N4S and molecular weight 374.16 g/mol. IUPAC: 4-[(4-tert-butylphenyl)methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 4-[(4-tert-butylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Property Insights of 4-[(4-tert-butylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
The XLogP value of 5.4053 indicates that 4-[(4-tert-butylbenzyl)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-[(4-tert-butylbenzyl)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-[(4-tert-butylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(4-tert-butylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine?
The CAS number of 4-[(4-tert-butylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine is 850230-77-2.
What is the molecular formula of 4-[(4-tert-butylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine?
The molecular formula of 4-[(4-tert-butylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine is C22H22N4S.
What is the molecular weight of 4-[(4-tert-butylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine?
The molecular weight of 4-[(4-tert-butylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine is 374.16 g/mol.
Where can I buy 4-[(4-tert-butylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine?
You can request a quote for 4-[(4-tert-butylbenzyl)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-[(4-tert-butylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-tert-butylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.