3-((4-(4-chlorophenyl)-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid
TL;DR: 3-((4-(4-chlorophenyl)-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid (CAS 690249-83-3) is a chemical compound with molecular formula C21H17ClN4O3S and molecular weight 440.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(4-chlorophenyl)-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid
Also Known As: 3-((4-(4-chlorophenyl)-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid, 3-[[4-(4-chlorophenyl)-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid, 3-[4-(4-chlorophenyl)-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]propanoic acid, 3-[4-(p-chlorophenyl)-5-[(8-quinolyloxy)methyl]-4H-1,2,4-triazol-3-ylthio]propionic acid, 3-({4-(4-chlorophenyl)-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)propanoic acid
| Molecular Formula | C21H17ClN4O3S |
|---|---|
| Molecular Weight | 440.07 g/mol |
| LogP | 4.6147 |
| Topological Polar Surface Area | 90.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 440.07098 |
| Heavy Atoms | 30 |
| Complexity | 1175.3188 |
Chemical Identifiers
| CAS Number | 690249-83-3 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)OCC3=NN=C(N3C4=CC=C(C=C4)Cl)SCCC(=O)O)N=CC=C2 |
Product Overview
3-((4-(4-chlorophenyl)-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid (CAS 690249-83-3), with molecular formula C21H17ClN4O3S and molecular weight 440.07 g/mol. IUPAC: 3-[[4-(4-chlorophenyl)-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid.
Chemical Property Profile of 3-((4-(4-chlorophenyl)-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid
Property Insights of 3-((4-(4-chlorophenyl)-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid
The XLogP value of 4.6147 indicates that 3-((4-(4-chlorophenyl)-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)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-(4-chlorophenyl)-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid. Following Lipinski's Rule of Five, 3-((4-(4-chlorophenyl)-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)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-(4-chlorophenyl)-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid?
The CAS number of 3-((4-(4-chlorophenyl)-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid is 690249-83-3.
What is the molecular formula of 3-((4-(4-chlorophenyl)-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid?
The molecular formula of 3-((4-(4-chlorophenyl)-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid is C21H17ClN4O3S.
What is the molecular weight of 3-((4-(4-chlorophenyl)-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid?
The molecular weight of 3-((4-(4-chlorophenyl)-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid is 440.07 g/mol.
Where can I buy 3-((4-(4-chlorophenyl)-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid?
You can request a quote for 3-((4-(4-chlorophenyl)-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)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-(4-chlorophenyl)-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-(4-chlorophenyl)-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.