AF-399/40891603
TL;DR: AF-399/40891603 (CAS 452089-20-2) is a chemical compound with molecular formula C16H13N3OS2 and molecular weight 327.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)-5-thiophen-2-yl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
Also Known As: AF-399/40891603, 2-(4-methylphenyl)-5-(thiophen-2-yl)-5,6-dihydro-7H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one, 5-(thiophen-2-yl)-2-(p-tolyl)-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7(6H)-one, 2-(4-methylphenyl)-5-(2-thienyl)-5,6-dihydro-7H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one, 2-(4-methylphenyl)-5-thiophen-2-yl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
| Molecular Formula | C16H13N3OS2 |
|---|---|
| Molecular Weight | 327.05 g/mol |
| LogP | 4.19232 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.05002 |
| Heavy Atoms | 22 |
| Complexity | 821.7103 |
Chemical Identifiers
| CAS Number | 452089-20-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN3C(=O)CC(SC3=N2)C4=CC=CS4 |
Product Overview
AF-399/40891603 (CAS 452089-20-2), with molecular formula C16H13N3OS2 and molecular weight 327.05 g/mol. IUPAC: 2-(4-methylphenyl)-5-thiophen-2-yl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one.
Chemical Property Profile of AF-399/40891603
Property Insights of AF-399/40891603
The XLogP value of 4.19232 indicates that AF-399/40891603 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, AF-399/40891603 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/40891603 has 0 hydrogen bond donor(s) and 5 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-399/40891603?
The CAS number of AF-399/40891603 is 452089-20-2.
What is the molecular formula of AF-399/40891603?
The molecular formula of AF-399/40891603 is C16H13N3OS2.
What is the molecular weight of AF-399/40891603?
The molecular weight of AF-399/40891603 is 327.05 g/mol.
Where can I buy AF-399/40891603?
You can request a quote for AF-399/40891603 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40891603?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40891603 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.