![3-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid structure](/static/products/835/835892-88-1.png)
3-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid
TL;DR: 3-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid (CAS 835892-88-1) 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.
3-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid
Also Known As: 3-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid, 3-({4-phenyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)propanoic acid, 3-[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]propanoic acid, 3-((4-phenyl-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid, 3-({4-phenyl-5-[(quinolin-8-yloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid
| Molecular Formula | C21H18N4O3S |
|---|---|
| Molecular Weight | 406.11 g/mol |
| LogP | 3.9613 |
| Topological Polar Surface Area | 90.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.10995 |
| Heavy Atoms | 29 |
| Complexity | 1125.9513 |
Chemical Identifiers
| CAS Number | 835892-88-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)O)COC3=CC=CC4=C3N=CC=C4 |
Product Overview
3-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid (CAS 835892-88-1), with molecular formula C21H18N4O3S and molecular weight 406.11 g/mol. IUPAC: 3-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid.
Chemical Property Profile of 3-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid
Property Insights of 3-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid
The XLogP value of 3.9613 indicates that 3-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid. Following Lipinski's Rule of Five, 3-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid 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 3-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid?
The CAS number of 3-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid is 835892-88-1.
What is the molecular formula of 3-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid?
The molecular formula of 3-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid is C21H18N4O3S.
What is the molecular weight of 3-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid?
The molecular weight of 3-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid is 406.11 g/mol.
Where can I buy 3-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid?
You can request a quote for 3-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.