3-(1-Benzyltriazol-4-yl)prop-2-enal
TL;DR: 3-(1-Benzyltriazol-4-yl)prop-2-enal (CAS 1628067-33-3) is a chemical compound with molecular formula C12H11N3O and molecular weight 213.09021 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1-benzyltriazol-4-yl)prop-2-enal
Also Known As: 3-(1-benzyltriazol-4-yl)prop-2-enal, (2E)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)acrylaldehyde, 3-(1-Benzyl-1,2,3-triazol-4-yl)acrolein, 3-(1-Benzyl-1H-1,2,3-triazol-4-yl)acrylaldehyde, 3-(1-Benzyl-1H-1,2,3-triazol-4-yl)prop-2-enal
Technical Specifications
| Molecular Formula | C12H11N3O |
| Molecular Weight | 213.09021 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.09021 Da |
| Heavy Atoms | 16 |
| Complexity | 249.0 |
| SMILES | C1=CC=C(C=C1)CN2C=C(N=N2)C=CC=O |
| InChIKey | YEPPFGWFEMTAPG-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1-Benzyltriazol-4-yl)prop-2-enal
Property Insights of 3-(1-Benzyltriazol-4-yl)prop-2-enal
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Benzyltriazol-4-yl)prop-2-enal. With a topological polar surface area (TPSA) of 47.8 Ų, 3-(1-Benzyltriazol-4-yl)prop-2-enal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Benzyltriazol-4-yl)prop-2-enal has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(1-Benzyltriazol-4-yl)prop-2-enal?
The CAS number of 3-(1-Benzyltriazol-4-yl)prop-2-enal is 1628067-33-3.
What is the molecular formula of 3-(1-Benzyltriazol-4-yl)prop-2-enal?
The molecular formula of 3-(1-Benzyltriazol-4-yl)prop-2-enal is C12H11N3O.
What is the molecular weight of 3-(1-Benzyltriazol-4-yl)prop-2-enal?
The molecular weight of 3-(1-Benzyltriazol-4-yl)prop-2-enal is 213.09021 g/mol.
Where can I buy 3-(1-Benzyltriazol-4-yl)prop-2-enal?
You can request a quote for 3-(1-Benzyltriazol-4-yl)prop-2-enal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1-Benzyltriazol-4-yl)prop-2-enal?
Yes, CoreyChem provides custom synthesis services for 3-(1-Benzyltriazol-4-yl)prop-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.