AF-399/41668442
TL;DR: AF-399/41668442 (CAS 496776-06-8) is a chemical compound with molecular formula C18H16N4O2S2 and molecular weight 384.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione
Also Known As: AF-399/41668442, 2-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione, 2-(3-{[4-methyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-isoindole-1,3(2H)-dione, 2-[3-(4-methyl-5-(2-thienyl)-1,2,4-triazol-3-ylthio)propyl]benzo[c]azoline-1,3 -dione, 2-(3-{[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C18H16N4O2S2 |
|---|---|
| Molecular Weight | 384.07 g/mol |
| LogP | 3.322 |
| Topological Polar Surface Area | 68.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.07147 |
| Heavy Atoms | 26 |
| Complexity | 930.4937 |
Chemical Identifiers
| CAS Number | 496776-06-8 |
|---|---|
| SMILES | CN1C(=NN=C1SCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CS4 |
Product Overview
AF-399/41668442 (CAS 496776-06-8), with molecular formula C18H16N4O2S2 and molecular weight 384.07 g/mol. IUPAC: 2-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione.
Chemical Property Profile of AF-399/41668442
Property Insights of AF-399/41668442
The XLogP value of 3.322 indicates that AF-399/41668442 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.09 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41668442. Following Lipinski's Rule of Five, AF-399/41668442 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-399/41668442?
The CAS number of AF-399/41668442 is 496776-06-8.
What is the molecular formula of AF-399/41668442?
The molecular formula of AF-399/41668442 is C18H16N4O2S2.
What is the molecular weight of AF-399/41668442?
The molecular weight of AF-399/41668442 is 384.07 g/mol.
Where can I buy AF-399/41668442?
You can request a quote for AF-399/41668442 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41668442?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41668442 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.