AF-399/42678274
TL;DR: AF-399/42678274 (CAS 585550-49-8) is a chemical compound with molecular formula C16H16N6OS and molecular weight 340.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methylphenyl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: AF-399/42678274, A4049/0172692, N-(4-methylphenyl)-2-{[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide, N-(4-methylphenyl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C16H16N6OS |
|---|---|
| Molecular Weight | 340.11 g/mol |
| LogP | 2.31132 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.11063 |
| Heavy Atoms | 24 |
| Complexity | 831.5338 |
Chemical Identifiers
| CAS Number | 585550-49-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=NC=CN=C3 |
Product Overview
AF-399/42678274 (CAS 585550-49-8), with molecular formula C16H16N6OS and molecular weight 340.11 g/mol. IUPAC: N-(4-methylphenyl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of AF-399/42678274
Property Insights of AF-399/42678274
The XLogP value of 2.31132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/42678274. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42678274. Following Lipinski's Rule of Five, AF-399/42678274 has 1 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-399/42678274?
The CAS number of AF-399/42678274 is 585550-49-8.
What is the molecular formula of AF-399/42678274?
The molecular formula of AF-399/42678274 is C16H16N6OS.
What is the molecular weight of AF-399/42678274?
The molecular weight of AF-399/42678274 is 340.11 g/mol.
Where can I buy AF-399/42678274?
You can request a quote for AF-399/42678274 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42678274?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42678274 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.