C18H14ClFN8OS
TL;DR: C18H14ClFN8OS (CAS 879470-89-0) is a chemical compound with molecular formula C18H14ClFN8OS and molecular weight 444.07 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-(5-chloro-2-pyridinyl)acetamide
Also Known As: 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-chloropyridin-2-yl)acetamide, 2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-chloropyridin-2-yl)acetamide, 2-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloropyridin-2-yl)acetamide, 2-{4-amino-5-[3-(4-fluorophenyl)pyrazol-5-yl](1,2,4-triazol-3-ylthio)}-N-(5-ch loro(2-pyridyl))acetamide
| Molecular Formula | C18H14ClFN8OS |
|---|---|
| Molecular Weight | 444.07 g/mol |
| LogP | 2.9673 |
| Topological Polar Surface Area | 127.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.0684 |
| Heavy Atoms | 30 |
| Complexity | 1175.8818 |
Chemical Identifiers
| CAS Number | 879470-89-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)NC4=NC=C(C=C4)Cl)F |
Product Overview
C18H14ClFN8OS (CAS 879470-89-0), with molecular formula C18H14ClFN8OS and molecular weight 444.07 g/mol. IUPAC: 2-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide.
Chemical Property Profile of C18H14ClFN8OS
Property Insights of C18H14ClFN8OS
The XLogP value of 2.9673 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C18H14ClFN8OS. The TPSA of 127.4 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H14ClFN8OS. Following Lipinski's Rule of Five, C18H14ClFN8OS has 3 hydrogen bond donor(s) and 7 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 C18H14ClFN8OS?
The CAS number of C18H14ClFN8OS is 879470-89-0.
What is the molecular formula of C18H14ClFN8OS?
The molecular formula of C18H14ClFN8OS is C18H14ClFN8OS.
What is the molecular weight of C18H14ClFN8OS?
The molecular weight of C18H14ClFN8OS is 444.07 g/mol.
Where can I buy C18H14ClFN8OS?
You can request a quote for C18H14ClFN8OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H14ClFN8OS?
Yes, KEHONG BIO provides custom synthesis services for C18H14ClFN8OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.