![3-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]propanoic acid structure](/static/products/6902/690249-75-3.webp)
3-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]propanoic acid
TL;DR: 3-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]propanoic acid (CAS 690249-75-3) is a chemical compound with molecular formula C18H18N4O3S and molecular weight 370.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid
Also Known As: 3-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid, 3-((4-allyl-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid, 3-({4-allyl-5-[(8-quinolinyloxy)methyl]-4h-1,2,4-triazol-3-yl}thio)propanoic acid, 3-[4-prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]propanoic acid, 3-({4-(prop-2-en-1-yl)-5-[(quinolin-8-yloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid
| Molecular Formula | C18H18N4O3S |
|---|---|
| Molecular Weight | 370.11 g/mol |
| LogP | 3.1581 |
| Topological Polar Surface Area | 90.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 370.10995 |
| Heavy Atoms | 26 |
| Complexity | 920.4451 |
Chemical Identifiers
| CAS Number | 690249-75-3 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCCC(=O)O)COC2=CC=CC3=C2N=CC=C3 |
Product Overview
3-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]propanoic acid (CAS 690249-75-3), with molecular formula C18H18N4O3S and molecular weight 370.11 g/mol. IUPAC: 3-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid.
Chemical Property Profile of 3-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]propanoic acid
Property Insights of 3-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]propanoic acid
The XLogP value of 3.1581 indicates that 3-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]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-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]propanoic acid. Following Lipinski's Rule of Five, 3-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]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-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]propanoic acid?
The CAS number of 3-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]propanoic acid is 690249-75-3.
What is the molecular formula of 3-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]propanoic acid?
The molecular formula of 3-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]propanoic acid is C18H18N4O3S.
What is the molecular weight of 3-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]propanoic acid?
The molecular weight of 3-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]propanoic acid is 370.11 g/mol.
Where can I buy 3-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]propanoic acid?
You can request a quote for 3-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]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-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.