![methyl 3-[4-(1H-1,2,4-triazol-1-yl)phenyl]prop-2-enoate structure](/static/products/1295/1295583-28-6.webp)
methyl 3-[4-(1H-1,2,4-triazol-1-yl)phenyl]prop-2-enoate
TL;DR: methyl 3-[4-(1H-1,2,4-triazol-1-yl)phenyl]prop-2-enoate (CAS 1295583-28-6) is a chemical compound with molecular formula C12H11N3O2 and molecular weight 229.08513 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enoate
Also Known As: methyl 3-[4-(1H-1,2,4-triazol-1-yl)phenyl]prop-2-enoate, methyl (E)-3-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-propenoate, methyl 3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enoate
Technical Specifications
| Molecular Formula | C12H11N3O2 |
| Molecular Weight | 229.08513 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.08513 Da |
| Heavy Atoms | 17 |
| Complexity | 285.0 |
| SMILES | COC(=O)C=CC1=CC=C(C=C1)N2C=NC=N2 |
| InChIKey | DBMMXTVBUNQBRV-UHFFFAOYSA-N |
Chemical Property Profile of methyl 3-[4-(1H-1,2,4-triazol-1-yl)phenyl]prop-2-enoate
Property Insights of methyl 3-[4-(1H-1,2,4-triazol-1-yl)phenyl]prop-2-enoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-[4-(1H-1,2,4-triazol-1-yl)phenyl]prop-2-enoate. With a topological polar surface area (TPSA) of 57.0 Ų, methyl 3-[4-(1H-1,2,4-triazol-1-yl)phenyl]prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-[4-(1H-1,2,4-triazol-1-yl)phenyl]prop-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
What is the CAS number of methyl 3-[4-(1H-1,2,4-triazol-1-yl)phenyl]prop-2-enoate?
The CAS number of methyl 3-[4-(1H-1,2,4-triazol-1-yl)phenyl]prop-2-enoate is 1295583-28-6.
What is the molecular formula of methyl 3-[4-(1H-1,2,4-triazol-1-yl)phenyl]prop-2-enoate?
The molecular formula of methyl 3-[4-(1H-1,2,4-triazol-1-yl)phenyl]prop-2-enoate is C12H11N3O2.
What is the molecular weight of methyl 3-[4-(1H-1,2,4-triazol-1-yl)phenyl]prop-2-enoate?
The molecular weight of methyl 3-[4-(1H-1,2,4-triazol-1-yl)phenyl]prop-2-enoate is 229.08513 g/mol.
Where can I buy methyl 3-[4-(1H-1,2,4-triazol-1-yl)phenyl]prop-2-enoate?
You can request a quote for methyl 3-[4-(1H-1,2,4-triazol-1-yl)phenyl]prop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 3-[4-(1H-1,2,4-triazol-1-yl)phenyl]prop-2-enoate?
Yes, CoreyChem provides custom synthesis services for methyl 3-[4-(1H-1,2,4-triazol-1-yl)phenyl]prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.