C20H17ClFN7OS
TL;DR: C20H17ClFN7OS (CAS 879451-93-1) is a chemical compound with molecular formula C20H17ClFN7OS and molecular weight 457.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
Also Known As: 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-4-methylphenyl)acetamide, 2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-4-methylphenyl)acetamide, 2-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide, 2-{4-amino-5-[3-(4-fluorophenyl)pyrazol-5-yl](1,2,4-triazol-3-ylthio)}-N-(3-ch loro-4-methylphenyl)acetamide
| Molecular Formula | C20H17ClFN7OS |
|---|---|
| Molecular Weight | 457.09 g/mol |
| LogP | 3.88072 |
| Topological Polar Surface Area | 114.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.08878 |
| Heavy Atoms | 31 |
| Complexity | 1238.8167 |
Chemical Identifiers
| CAS Number | 879451-93-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=C(C=C4)F)Cl |
Product Overview
C20H17ClFN7OS (CAS 879451-93-1), with molecular formula C20H17ClFN7OS and molecular weight 457.09 g/mol. IUPAC: 2-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide.
Chemical Property Profile of C20H17ClFN7OS
Property Insights of C20H17ClFN7OS
The XLogP value of 3.88072 indicates that C20H17ClFN7OS 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 C20H17ClFN7OS. Following Lipinski's Rule of Five, C20H17ClFN7OS has 3 hydrogen bond donor(s) and 6 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 C20H17ClFN7OS?
The CAS number of C20H17ClFN7OS is 879451-93-1.
What is the molecular formula of C20H17ClFN7OS?
The molecular formula of C20H17ClFN7OS is C20H17ClFN7OS.
What is the molecular weight of C20H17ClFN7OS?
The molecular weight of C20H17ClFN7OS is 457.09 g/mol.
Where can I buy C20H17ClFN7OS?
You can request a quote for C20H17ClFN7OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H17ClFN7OS?
Yes, KEHONG BIO provides custom synthesis services for C20H17ClFN7OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.