![({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid structure](/static/products/1020/102061-72-3.webp)
({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid
TL;DR: ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid (CAS 102061-72-3) is a chemical compound with molecular formula C17H16N4O3S and molecular weight 356.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid, 2-((4-allyl-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid, 2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid, 2-[4-prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]acetic acid, ({4-(prop-2-en-1-yl)-5-[(quinolin-8-yloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
| Molecular Formula | C17H16N4O3S |
|---|---|
| Molecular Weight | 356.09 g/mol |
| LogP | 2.768 |
| Topological Polar Surface Area | 90.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 356.0943 |
| Heavy Atoms | 25 |
| Complexity | 904.54926 |
Chemical Identifiers
| CAS Number | 102061-72-3 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)O)COC2=CC=CC3=C2N=CC=C3 |
Product Overview
({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid (CAS 102061-72-3), with molecular formula C17H16N4O3S and molecular weight 356.09 g/mol. IUPAC: 2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid
Property Insights of ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid
The XLogP value of 2.768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid. The TPSA of 90.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid. Following Lipinski's Rule of Five, ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetic 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 ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid?
The CAS number of ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid is 102061-72-3.
What is the molecular formula of ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid?
The molecular formula of ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid is C17H16N4O3S.
What is the molecular weight of ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid?
The molecular weight of ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid is 356.09 g/mol.
Where can I buy ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid?
You can request a quote for ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.