Methyl 4-(1,2,4-triazol-1-yl)but-2-enoate
TL;DR: Methyl 4-(1,2,4-triazol-1-yl)but-2-enoate (CAS 338956-47-1) is a chemical compound with molecular formula C7H9N3O2 and molecular weight 167.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(1,2,4-triazol-1-yl)but-2-enoate
Also Known As: methyl 4-(1,2,4-triazol-1-yl)but-2-enoate, methyl 4-(1H-1,2,4-triazol-1-yl)-2-butenoate, methyl (2E)-4-(1H-1,2,4-triazol-1-yl)but-2-enoate
| Molecular Formula | C7H9N3O2 |
|---|---|
| Molecular Weight | 167.07 g/mol |
| LogP | 0.0073 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.06947 |
| Heavy Atoms | 12 |
| Complexity | 266.18866 |
Chemical Identifiers
| CAS Number | 338956-47-1 |
|---|---|
| SMILES | COC(=O)C=CCN1C=NC=N1 |
Product Overview
Methyl 4-(1,2,4-triazol-1-yl)but-2-enoate (CAS 338956-47-1), with molecular formula C7H9N3O2 and molecular weight 167.07 g/mol. IUPAC: methyl 4-(1,2,4-triazol-1-yl)but-2-enoate.
Chemical Property Profile of Methyl 4-(1,2,4-triazol-1-yl)but-2-enoate
Property Insights of Methyl 4-(1,2,4-triazol-1-yl)but-2-enoate
The XLogP value of 0.0073 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(1,2,4-triazol-1-yl)but-2-enoate. With a topological polar surface area (TPSA) of 57.01 Ų, Methyl 4-(1,2,4-triazol-1-yl)but-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(1,2,4-triazol-1-yl)but-2-enoate has 0 hydrogen bond donor(s) and 4 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-(1,2,4-triazol-1-yl)but-2-enoate?
The CAS number of Methyl 4-(1,2,4-triazol-1-yl)but-2-enoate is 338956-47-1.
What is the molecular formula of Methyl 4-(1,2,4-triazol-1-yl)but-2-enoate?
The molecular formula of Methyl 4-(1,2,4-triazol-1-yl)but-2-enoate is C7H9N3O2.
What is the molecular weight of Methyl 4-(1,2,4-triazol-1-yl)but-2-enoate?
The molecular weight of Methyl 4-(1,2,4-triazol-1-yl)but-2-enoate is 167.07 g/mol.
Where can I buy Methyl 4-(1,2,4-triazol-1-yl)but-2-enoate?
You can request a quote for Methyl 4-(1,2,4-triazol-1-yl)but-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(1,2,4-triazol-1-yl)but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(1,2,4-triazol-1-yl)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.