AF-399/40960600
TL;DR: AF-399/40960600 (CAS 433703-68-5) is a chemical compound with molecular formula C18H15FN4OS and molecular weight 354.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: AF-399/40960600, 1-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 1-(4-fluorophenyl)-2-(4-prop-2-enyl-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))etha n-1-one, 1-(4-fluorophenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone, 2-((4-allyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone
| Molecular Formula | C18H15FN4OS |
|---|---|
| Molecular Weight | 354.10 g/mol |
| LogP | 3.6402 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 354.09506 |
| Heavy Atoms | 25 |
| Complexity | 877.85156 |
Chemical Identifiers
| CAS Number | 433703-68-5 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)F)C3=CN=CC=C3 |
Product Overview
AF-399/40960600 (CAS 433703-68-5), with molecular formula C18H15FN4OS and molecular weight 354.10 g/mol. IUPAC: 1-(4-fluorophenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of AF-399/40960600
Property Insights of AF-399/40960600
The XLogP value of 3.6402 indicates that AF-399/40960600 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40960600. Following Lipinski's Rule of Five, AF-399/40960600 has 0 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 AF-399/40960600?
The CAS number of AF-399/40960600 is 433703-68-5.
What is the molecular formula of AF-399/40960600?
The molecular formula of AF-399/40960600 is C18H15FN4OS.
What is the molecular weight of AF-399/40960600?
The molecular weight of AF-399/40960600 is 354.10 g/mol.
Where can I buy AF-399/40960600?
You can request a quote for AF-399/40960600 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40960600?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40960600 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.