AF-399/41178829
TL;DR: AF-399/41178829 (CAS 489403-84-1) is a chemical compound with molecular formula C26H22N4O2S3 and molecular weight 518.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
Also Known As: AF-399/41178829, 2-[(5-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone, 2-((5-(((6-ethoxybenzo[d]thiazol-2-yl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone, 2-[[5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone, 2-{5-[(6-ethoxybenzothiazol-2-ylthio)methyl]-4-phenyl(1,2,4-triazol-3-ylthio)} -1-phenylethan-1-one
| Molecular Formula | C26H22N4O2S3 |
|---|---|
| Molecular Weight | 518.09 g/mol |
| LogP | 6.543 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 518.0905 |
| Heavy Atoms | 35 |
| Complexity | 1435.316 |
Chemical Identifiers
| CAS Number | 489403-84-1 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)SCC3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC=CC=C5 |
Product Overview
AF-399/41178829 (CAS 489403-84-1), with molecular formula C26H22N4O2S3 and molecular weight 518.09 g/mol. IUPAC: 2-[[5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone.
Chemical Property Profile of AF-399/41178829
Property Insights of AF-399/41178829
The XLogP value of 6.543 indicates that AF-399/41178829 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41178829. Following Lipinski's Rule of Five, AF-399/41178829 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/41178829?
The CAS number of AF-399/41178829 is 489403-84-1.
What is the molecular formula of AF-399/41178829?
The molecular formula of AF-399/41178829 is C26H22N4O2S3.
What is the molecular weight of AF-399/41178829?
The molecular weight of AF-399/41178829 is 518.09 g/mol.
Where can I buy AF-399/41178829?
You can request a quote for AF-399/41178829 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41178829?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41178829 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.