AF-399/13565063
TL;DR: AF-399/13565063 (CAS 325694-49-3) is a chemical compound with molecular formula C23H16N4O5S and molecular weight 460.08 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-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone
Also Known As: AF-399/13565063, 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone, 2-((5-(benzo[d][1,3]dioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-(3-nitrophenyl)ethanone, 2-(5-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-4-phenyl(1,2,4-triazol-3-ylthio))-1-(3 -nitrophenyl)ethan-1-one, 2-{[5-(1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
| Molecular Formula | C23H16N4O5S |
|---|---|
| Molecular Weight | 460.08 g/mol |
| LogP | 4.5462 |
| Topological Polar Surface Area | 109.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.08414 |
| Heavy Atoms | 33 |
| Complexity | 1356.2313 |
Chemical Identifiers
| CAS Number | 325694-49-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
AF-399/13565063 (CAS 325694-49-3), with molecular formula C23H16N4O5S and molecular weight 460.08 g/mol. IUPAC: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone.
Chemical Property Profile of AF-399/13565063
Property Insights of AF-399/13565063
The XLogP value of 4.5462 indicates that AF-399/13565063 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.38 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/13565063. Following Lipinski's Rule of Five, AF-399/13565063 has 0 hydrogen bond donor(s) and 8 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-399/13565063?
The CAS number of AF-399/13565063 is 325694-49-3.
What is the molecular formula of AF-399/13565063?
The molecular formula of AF-399/13565063 is C23H16N4O5S.
What is the molecular weight of AF-399/13565063?
The molecular weight of AF-399/13565063 is 460.08 g/mol.
Where can I buy AF-399/13565063?
You can request a quote for AF-399/13565063 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13565063?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13565063 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.