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Methyl 2-[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]acetate
TL;DR: Methyl 2-[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]acetate (CAS 102061-77-8) is a chemical compound with molecular formula C21H18N4O3S and molecular weight 406.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: AF-399/41668443, F1308-0010, methyl 2-[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]acetate, methyl ({4-phenyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate, methyl 2-((4-phenyl-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate
| Molecular Formula | C21H18N4O3S |
|---|---|
| Molecular Weight | 406.11 g/mol |
| LogP | 3.6596 |
| Topological Polar Surface Area | 79.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.10995 |
| Heavy Atoms | 29 |
| Complexity | 1125.9513 |
Chemical Identifiers
| CAS Number | 102061-77-8 |
|---|---|
| SMILES | COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=CC4=C3N=CC=C4 |
Product Overview
Methyl 2-[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]acetate (CAS 102061-77-8), with molecular formula C21H18N4O3S and molecular weight 406.11 g/mol. IUPAC: methyl 2-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of Methyl 2-[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]acetate
Property Insights of Methyl 2-[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]acetate
The XLogP value of 3.6596 indicates that Methyl 2-[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]acetate. Following Lipinski's Rule of Five, Methyl 2-[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]acetate has 0 hydrogen bond donor(s) and 7 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 Methyl 2-[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]acetate?
The CAS number of Methyl 2-[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]acetate is 102061-77-8.
What is the molecular formula of Methyl 2-[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]acetate?
The molecular formula of Methyl 2-[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]acetate is C21H18N4O3S.
What is the molecular weight of Methyl 2-[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]acetate?
The molecular weight of Methyl 2-[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]acetate is 406.11 g/mol.
Where can I buy Methyl 2-[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]acetate?
You can request a quote for Methyl 2-[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.