C22H18FN5OS
TL;DR: C22H18FN5OS (CAS 847472-29-1) is a chemical compound with molecular formula C22H18FN5OS and molecular weight 419.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-fluoro-2-methylphenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(5-fluoro-2-methyl-phenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(5-fluoro-2-methylphenyl)-2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(5-fluoro-2-methylphenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(5-fluoro-2-methylphenyl)-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C22H18FN5OS |
|---|---|
| Molecular Weight | 419.12 g/mol |
| LogP | 4.50762 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.1216 |
| Heavy Atoms | 30 |
| Complexity | 1164.8837 |
Chemical Identifiers
| CAS Number | 847472-29-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)F)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4 |
Product Overview
C22H18FN5OS (CAS 847472-29-1), with molecular formula C22H18FN5OS and molecular weight 419.12 g/mol. IUPAC: N-(5-fluoro-2-methylphenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of C22H18FN5OS
Property Insights of C22H18FN5OS
The XLogP value of 4.50762 indicates that C22H18FN5OS 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 C22H18FN5OS. Following Lipinski's Rule of Five, C22H18FN5OS 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 C22H18FN5OS?
The CAS number of C22H18FN5OS is 847472-29-1.
What is the molecular formula of C22H18FN5OS?
The molecular formula of C22H18FN5OS is C22H18FN5OS.
What is the molecular weight of C22H18FN5OS?
The molecular weight of C22H18FN5OS is 419.12 g/mol.
Where can I buy C22H18FN5OS?
You can request a quote for C22H18FN5OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H18FN5OS?
Yes, KEHONG BIO provides custom synthesis services for C22H18FN5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.