AF-399/41767579
TL;DR: AF-399/41767579 (CAS 496777-12-9) is a chemical compound with molecular formula C24H19N3O3S and molecular weight 429.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone
Also Known As: AF-399/41767579, 2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone, 2-{[5-(1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(biphenyl-4-yl)ethanone, 2-(5-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-4-methyl(1,2,4-triazol-3-ylthio))-1-(4 -phenylphenyl)ethan-1-one, 2-{[5-(1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[1,1'-biphenyl]-4-ylethanone
| Molecular Formula | C24H19N3O3S |
|---|---|
| Molecular Weight | 429.11 g/mol |
| LogP | 4.8528 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.11472 |
| Heavy Atoms | 31 |
| Complexity | 1236.9265 |
Chemical Identifiers
| CAS Number | 496777-12-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5 |
Product Overview
AF-399/41767579 (CAS 496777-12-9), with molecular formula C24H19N3O3S and molecular weight 429.11 g/mol. IUPAC: 2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone.
Chemical Property Profile of AF-399/41767579
Property Insights of AF-399/41767579
The XLogP value of 4.8528 indicates that AF-399/41767579 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41767579. Following Lipinski's Rule of Five, AF-399/41767579 has 0 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 AF-399/41767579?
The CAS number of AF-399/41767579 is 496777-12-9.
What is the molecular formula of AF-399/41767579?
The molecular formula of AF-399/41767579 is C24H19N3O3S.
What is the molecular weight of AF-399/41767579?
The molecular weight of AF-399/41767579 is 429.11 g/mol.
Where can I buy AF-399/41767579?
You can request a quote for AF-399/41767579 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41767579?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41767579 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.