![1-(4-bromophenyl)-4-((2-chloro-6-fluorobenzyl)thio)-1H-pyrazolo[3,4-d]pyrimidine structure](/static/products/877/877794-25-7.png)
1-(4-bromophenyl)-4-((2-chloro-6-fluorobenzyl)thio)-1H-pyrazolo[3,4-d]pyrimidine
TL;DR: 1-(4-bromophenyl)-4-((2-chloro-6-fluorobenzyl)thio)-1H-pyrazolo[3,4-d]pyrimidine (CAS 877794-25-7) is a chemical compound with molecular formula C18H11BrClFN4S and molecular weight 447.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-4-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine
Also Known As: 1-(4-bromophenyl)-4-((2-chloro-6-fluorobenzyl)thio)-1H-pyrazolo[3,4-d]pyrimidine, 1-(4-bromophenyl)-4-[(2-chloro-6-fluorobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine, 1-(4-bromophenyl)-4-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidine
| Molecular Formula | C18H11BrClFN4S |
|---|---|
| Molecular Weight | 447.96 g/mol |
| LogP | 5.6628 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.95605 |
| Heavy Atoms | 26 |
| Complexity | 1064.1963 |
Chemical Identifiers
| CAS Number | 877794-25-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Br)F |
Product Overview
1-(4-bromophenyl)-4-((2-chloro-6-fluorobenzyl)thio)-1H-pyrazolo[3,4-d]pyrimidine (CAS 877794-25-7), with molecular formula C18H11BrClFN4S and molecular weight 447.96 g/mol. IUPAC: 1-(4-bromophenyl)-4-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 1-(4-bromophenyl)-4-((2-chloro-6-fluorobenzyl)thio)-1H-pyrazolo[3,4-d]pyrimidine
Property Insights of 1-(4-bromophenyl)-4-((2-chloro-6-fluorobenzyl)thio)-1H-pyrazolo[3,4-d]pyrimidine
The XLogP value of 5.6628 indicates that 1-(4-bromophenyl)-4-((2-chloro-6-fluorobenzyl)thio)-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, 1-(4-bromophenyl)-4-((2-chloro-6-fluorobenzyl)thio)-1H-pyrazolo[3,4-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-bromophenyl)-4-((2-chloro-6-fluorobenzyl)thio)-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 1-(4-bromophenyl)-4-((2-chloro-6-fluorobenzyl)thio)-1H-pyrazolo[3,4-d]pyrimidine?
The CAS number of 1-(4-bromophenyl)-4-((2-chloro-6-fluorobenzyl)thio)-1H-pyrazolo[3,4-d]pyrimidine is 877794-25-7.
What is the molecular formula of 1-(4-bromophenyl)-4-((2-chloro-6-fluorobenzyl)thio)-1H-pyrazolo[3,4-d]pyrimidine?
The molecular formula of 1-(4-bromophenyl)-4-((2-chloro-6-fluorobenzyl)thio)-1H-pyrazolo[3,4-d]pyrimidine is C18H11BrClFN4S.
What is the molecular weight of 1-(4-bromophenyl)-4-((2-chloro-6-fluorobenzyl)thio)-1H-pyrazolo[3,4-d]pyrimidine?
The molecular weight of 1-(4-bromophenyl)-4-((2-chloro-6-fluorobenzyl)thio)-1H-pyrazolo[3,4-d]pyrimidine is 447.96 g/mol.
Where can I buy 1-(4-bromophenyl)-4-((2-chloro-6-fluorobenzyl)thio)-1H-pyrazolo[3,4-d]pyrimidine?
You can request a quote for 1-(4-bromophenyl)-4-((2-chloro-6-fluorobenzyl)thio)-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 1-(4-bromophenyl)-4-((2-chloro-6-fluorobenzyl)thio)-1H-pyrazolo[3,4-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-bromophenyl)-4-((2-chloro-6-fluorobenzyl)thio)-1H-pyrazolo[3,4-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.