C20H17BrFN7OS
TL;DR: C20H17BrFN7OS (CAS 879465-10-8) is a chemical compound with molecular formula C20H17BrFN7OS and molecular weight 501.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide
Also Known As: 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromo-2-fluorophenyl)acetamide, 2-({4-amino-5-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-bromo-2-fluorophenyl)acetamide, 2-[[4-amino-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide, 2-{4-amino-5-[3-(4-methylphenyl)pyrazol-5-yl](1,2,4-triazol-3-ylthio)}-N-(4-br omo-2-fluorophenyl)acetamide
| Molecular Formula | C20H17BrFN7OS |
|---|---|
| Molecular Weight | 501.04 g/mol |
| LogP | 3.98982 |
| Topological Polar Surface Area | 114.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 501.03827 |
| Heavy Atoms | 31 |
| Complexity | 1238.8167 |
Chemical Identifiers
| CAS Number | 879465-10-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)NC4=C(C=C(C=C4)Br)F |
Product Overview
C20H17BrFN7OS (CAS 879465-10-8), with molecular formula C20H17BrFN7OS and molecular weight 501.04 g/mol. IUPAC: 2-[[4-amino-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide.
Chemical Property Profile of C20H17BrFN7OS
Property Insights of C20H17BrFN7OS
The XLogP value of 3.98982 indicates that C20H17BrFN7OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.51 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H17BrFN7OS. Following Lipinski's Rule of Five, C20H17BrFN7OS has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C20H17BrFN7OS?
The CAS number of C20H17BrFN7OS is 879465-10-8.
What is the molecular formula of C20H17BrFN7OS?
The molecular formula of C20H17BrFN7OS is C20H17BrFN7OS.
What is the molecular weight of C20H17BrFN7OS?
The molecular weight of C20H17BrFN7OS is 501.04 g/mol.
Where can I buy C20H17BrFN7OS?
You can request a quote for C20H17BrFN7OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H17BrFN7OS?
Yes, KEHONG BIO provides custom synthesis services for C20H17BrFN7OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.