C17H17BrN4OS
TL;DR: C17H17BrN4OS (CAS 862192-77-6) is a chemical compound with molecular formula C17H17BrN4OS and molecular weight 404.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(4-bromophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-3,3-dimethylbutan-2-one
Also Known As: 1-((1-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-3,3-dimethylbutan-2-one, 1-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3,3-dimethylbutan-2-one, 1-{[1-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-3,3-dimethylbutan-2-one
| Molecular Formula | C17H17BrN4OS |
|---|---|
| Molecular Weight | 404.03 g/mol |
| LogP | 4.2853 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.03064 |
| Heavy Atoms | 24 |
| Complexity | 883.73706 |
Chemical Identifiers
| CAS Number | 862192-77-6 |
|---|---|
| SMILES | CC(C)(C)C(=O)CSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)Br |
Product Overview
C17H17BrN4OS (CAS 862192-77-6), with molecular formula C17H17BrN4OS and molecular weight 404.03 g/mol. IUPAC: 1-[1-(4-bromophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-3,3-dimethylbutan-2-one.
Chemical Property Profile of C17H17BrN4OS
Property Insights of C17H17BrN4OS
The XLogP value of 4.2853 indicates that C17H17BrN4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H17BrN4OS. Following Lipinski's Rule of Five, C17H17BrN4OS 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 C17H17BrN4OS?
The CAS number of C17H17BrN4OS is 862192-77-6.
What is the molecular formula of C17H17BrN4OS?
The molecular formula of C17H17BrN4OS is C17H17BrN4OS.
What is the molecular weight of C17H17BrN4OS?
The molecular weight of C17H17BrN4OS is 404.03 g/mol.
Where can I buy C17H17BrN4OS?
You can request a quote for C17H17BrN4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H17BrN4OS?
Yes, KEHONG BIO provides custom synthesis services for C17H17BrN4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.