![4-[(3-bromobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine structure](/static/products/862/862127-42-2.png)
4-[(3-bromobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
TL;DR: 4-[(3-bromobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine (CAS 862127-42-2) is a chemical compound with molecular formula C18H13BrN4S and molecular weight 396.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-bromophenyl)methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
Also Known As: 4-((3-bromobenzyl)thio)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine, 4-[(3-bromobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine, 4-[(3-bromophenyl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine
| Molecular Formula | C18H13BrN4S |
|---|---|
| Molecular Weight | 396.00 g/mol |
| LogP | 4.8703 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.00443 |
| Heavy Atoms | 24 |
| Complexity | 984.6645 |
Chemical Identifiers
| CAS Number | 862127-42-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=CC(=CC=C4)Br |
Product Overview
4-[(3-bromobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine (CAS 862127-42-2), with molecular formula C18H13BrN4S and molecular weight 396.00 g/mol. IUPAC: 4-[(3-bromophenyl)methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 4-[(3-bromobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Property Insights of 4-[(3-bromobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
The XLogP value of 4.8703 indicates that 4-[(3-bromobenzyl)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-[(3-bromobenzyl)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-[(3-bromobenzyl)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-[(3-bromobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine?
The CAS number of 4-[(3-bromobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine is 862127-42-2.
What is the molecular formula of 4-[(3-bromobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine?
The molecular formula of 4-[(3-bromobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine is C18H13BrN4S.
What is the molecular weight of 4-[(3-bromobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine?
The molecular weight of 4-[(3-bromobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine is 396.00 g/mol.
Where can I buy 4-[(3-bromobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine?
You can request a quote for 4-[(3-bromobenzyl)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-[(3-bromobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-bromobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.