![4-[(4-fluorobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine structure](/static/products/496/496971-15-4.png)
4-[(4-fluorobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
TL;DR: 4-[(4-fluorobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine (CAS 496971-15-4) is a chemical compound with molecular formula C18H13FN4S and molecular weight 336.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-fluorophenyl)methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
Also Known As: Maybridge3_002732, IDI1_014119, AO-476/40672193, 4-((4-fluorobenzyl)thio)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine, 4-[(4-fluorobenzyl)thio]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
| Molecular Formula | C18H13FN4S |
|---|---|
| Molecular Weight | 336.08 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.0845 |
| Heavy Atoms | 24 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 496971-15-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=CC=C(C=C4)F |
| InChIKey | ZKXINDRBTNUXPA-UHFFFAOYSA-N |
Product Overview
4-[(4-fluorobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine (CAS 496971-15-4), with molecular formula C18H13FN4S and molecular weight 336.08 g/mol. IUPAC: 4-[(4-fluorophenyl)methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 4-[(4-fluorobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Property Insights of 4-[(4-fluorobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
The XLogP value of 4.3 indicates that 4-[(4-fluorobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-fluorobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine. Following Lipinski's Rule of Five, 4-[(4-fluorobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine has 0 hydrogen bond donor(s) and 5 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-fluorobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine?
The CAS number of 4-[(4-fluorobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine is 496971-15-4.
What is the molecular formula of 4-[(4-fluorobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine?
The molecular formula of 4-[(4-fluorobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine is C18H13FN4S.
What is the molecular weight of 4-[(4-fluorobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine?
The molecular weight of 4-[(4-fluorobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine is 336.08 g/mol.
Where can I buy 4-[(4-fluorobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine?
You can request a quote for 4-[(4-fluorobenzyl)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-fluorobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-fluorobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.