Methyl 2-(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-ylthio)acetate
TL;DR: Methyl 2-(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-ylthio)acetate (CAS 891429-55-3) is a chemical compound with molecular formula C11H15N3O2S and molecular weight 253.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetate
Also Known As: methyl 2-((4-allyl-5-cyclopropyl-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-ylthio)acetate, methyl {[5-cyclopropyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, METHYL 2-[(4-ALLYL-5-CYCLOPROPYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETATE, methyl 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetate
| Molecular Formula | C11H15N3O2S |
|---|---|
| Molecular Weight | 253.09 g/mol |
| LogP | 1.6066 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.0885 |
| Heavy Atoms | 17 |
| Complexity | 426.35107 |
Chemical Identifiers
| CAS Number | 891429-55-3 |
|---|---|
| SMILES | COC(=O)CSC1=NN=C(N1CC=C)C2CC2 |
Product Overview
Methyl 2-(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-ylthio)acetate (CAS 891429-55-3), with molecular formula C11H15N3O2S and molecular weight 253.09 g/mol. IUPAC: methyl 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetate.
Chemical Property Profile of Methyl 2-(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-ylthio)acetate
Property Insights of Methyl 2-(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-ylthio)acetate
The XLogP value of 1.6066 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-ylthio)acetate. With a topological polar surface area (TPSA) of 57.01 Ų, Methyl 2-(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-ylthio)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-ylthio)acetate has 0 hydrogen bond donor(s) and 5 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-(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-ylthio)acetate?
The CAS number of Methyl 2-(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-ylthio)acetate is 891429-55-3.
What is the molecular formula of Methyl 2-(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-ylthio)acetate?
The molecular formula of Methyl 2-(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-ylthio)acetate is C11H15N3O2S.
What is the molecular weight of Methyl 2-(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-ylthio)acetate?
The molecular weight of Methyl 2-(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-ylthio)acetate is 253.09 g/mol.
Where can I buy Methyl 2-(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-ylthio)acetate?
You can request a quote for Methyl 2-(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-ylthio)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-(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-ylthio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-ylthio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.