AB00686057-01
TL;DR: AB00686057-01 (CAS 379239-32-4) is a chemical compound with molecular formula C18H15N3OS2 and molecular weight 353.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-methylthiophen-2-yl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
Also Known As: AB00686057-01, F1441-0183, AF-399/40827476, 1-(5-methylthiophen-2-yl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone, 2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)-1-(5-methylthiophen-2-yl)ethanone
| Molecular Formula | C18H15N3OS2 |
|---|---|
| Molecular Weight | 353.07 g/mol |
| LogP | 4.53584 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.06564 |
| Heavy Atoms | 24 |
| Complexity | 1064.6957 |
Chemical Identifiers
| CAS Number | 379239-32-4 |
|---|---|
| SMILES | CC1=CC=C(S1)C(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=C3)C |
Product Overview
AB00686057-01 (CAS 379239-32-4), with molecular formula C18H15N3OS2 and molecular weight 353.07 g/mol. IUPAC: 1-(5-methylthiophen-2-yl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone.
Chemical Property Profile of AB00686057-01
Property Insights of AB00686057-01
The XLogP value of 4.53584 indicates that AB00686057-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.26 Ų, AB00686057-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00686057-01 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 AB00686057-01?
The CAS number of AB00686057-01 is 379239-32-4.
What is the molecular formula of AB00686057-01?
The molecular formula of AB00686057-01 is C18H15N3OS2.
What is the molecular weight of AB00686057-01?
The molecular weight of AB00686057-01 is 353.07 g/mol.
Where can I buy AB00686057-01?
You can request a quote for AB00686057-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686057-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686057-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.