methyl 2-((4-allyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetate
TL;DR: methyl 2-((4-allyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetate (CAS 888662-48-4) is a chemical compound with molecular formula C13H15N3O3S and molecular weight 293.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: methyl 2-((4-allyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetate, Methyl 2-[[5-(2-methyl-3-furyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate, methyl 2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate, methyl 2-[5-(2-methyl(3-furyl))-4-prop-2-enyl-1,2,4-triazol-3-ylthio]acetate, METHYL 2-{[4-ALLYL-5-(2-METHYL-3-FURYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETATE
| Molecular Formula | C13H15N3O3S |
|---|---|
| Molecular Weight | 293.08 g/mol |
| LogP | 2.29762 |
| Topological Polar Surface Area | 70.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 293.0834 |
| Heavy Atoms | 20 |
| Complexity | 618.16003 |
Chemical Identifiers
| CAS Number | 888662-48-4 |
|---|---|
| SMILES | CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC(=O)OC |
Product Overview
methyl 2-((4-allyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetate (CAS 888662-48-4), with molecular formula C13H15N3O3S and molecular weight 293.08 g/mol. IUPAC: methyl 2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of methyl 2-((4-allyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetate
Property Insights of methyl 2-((4-allyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetate
The XLogP value of 2.29762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-((4-allyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetate. The TPSA of 70.15 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-((4-allyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetate. Following Lipinski's Rule of Five, methyl 2-((4-allyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetate has 0 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 methyl 2-((4-allyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetate?
The CAS number of methyl 2-((4-allyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetate is 888662-48-4.
What is the molecular formula of methyl 2-((4-allyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetate?
The molecular formula of methyl 2-((4-allyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetate is C13H15N3O3S.
What is the molecular weight of methyl 2-((4-allyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetate?
The molecular weight of methyl 2-((4-allyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetate is 293.08 g/mol.
Where can I buy methyl 2-((4-allyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetate?
You can request a quote for methyl 2-((4-allyl-5-(2-methylfuran-3-yl)-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 2-((4-allyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-((4-allyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.