C20H16BrN5OS
TL;DR: C20H16BrN5OS (CAS 587009-05-0) is a chemical compound with molecular formula C20H16BrN5OS and molecular weight 453.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromophenyl)-2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
Also Known As: N-(2-bromophenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide, N-(2-bromophenyl)-2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide, N-(2-bromophenyl)-2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
| Molecular Formula | C20H16BrN5OS |
|---|---|
| Molecular Weight | 453.03 g/mol |
| LogP | 4.61722 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.02588 |
| Heavy Atoms | 28 |
| Complexity | 1143.0172 |
Chemical Identifiers
| CAS Number | 587009-05-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=CC=C4Br |
Product Overview
C20H16BrN5OS (CAS 587009-05-0), with molecular formula C20H16BrN5OS and molecular weight 453.03 g/mol. IUPAC: N-(2-bromophenyl)-2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide.
Chemical Property Profile of C20H16BrN5OS
Property Insights of C20H16BrN5OS
The XLogP value of 4.61722 indicates that C20H16BrN5OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H16BrN5OS. Following Lipinski's Rule of Five, C20H16BrN5OS has 1 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 C20H16BrN5OS?
The CAS number of C20H16BrN5OS is 587009-05-0.
What is the molecular formula of C20H16BrN5OS?
The molecular formula of C20H16BrN5OS is C20H16BrN5OS.
What is the molecular weight of C20H16BrN5OS?
The molecular weight of C20H16BrN5OS is 453.03 g/mol.
Where can I buy C20H16BrN5OS?
You can request a quote for C20H16BrN5OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H16BrN5OS?
Yes, KEHONG BIO provides custom synthesis services for C20H16BrN5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.