![methyl ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetate structure](/static/products/4967/496776-08-0.webp)
methyl ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetate
TL;DR: methyl ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetate (CAS 496776-08-0) 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.
methyl 2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: methyl ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetate, methyl 2-((4-allyl-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate, methyl ({4-(prop-2-en-1-yl)-5-[(quinolin-8-yloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate, methyl ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
| Molecular Formula | C18H18N4O3S |
|---|---|
| Molecular Weight | 370.11 g/mol |
| LogP | 2.8564 |
| Topological Polar Surface Area | 79.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 370.10995 |
| Heavy Atoms | 26 |
| Complexity | 920.4451 |
Chemical Identifiers
| CAS Number | 496776-08-0 |
|---|---|
| SMILES | COC(=O)CSC1=NN=C(N1CC=C)COC2=CC=CC3=C2N=CC=C3 |
Product Overview
methyl ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetate (CAS 496776-08-0), with molecular formula C18H18N4O3S and molecular weight 370.11 g/mol. IUPAC: methyl 2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of methyl ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetate
Property Insights of methyl ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetate
The XLogP value of 2.8564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetate. The TPSA of 79.13 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetate. Following Lipinski's Rule of Five, methyl ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)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 ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetate?
The CAS number of methyl ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetate is 496776-08-0.
What is the molecular formula of methyl ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetate?
The molecular formula of methyl ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetate is C18H18N4O3S.
What is the molecular weight of methyl ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetate?
The molecular weight of methyl ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetate is 370.11 g/mol.
Where can I buy methyl ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetate?
You can request a quote for methyl ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl ({4-allyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.