Methyl 2-benzamido-3-(benzotriazol-1-yl)prop-2-enoate
TL;DR: Methyl 2-benzamido-3-(benzotriazol-1-yl)prop-2-enoate (CAS 123530-55-2) is a chemical compound with molecular formula C17H14N4O3 and molecular weight 322.1066 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-benzamido-3-(benzotriazol-1-yl)prop-2-enoate
Also Known As: methyl 2-benzamido-3-(benzotriazol-1-yl)prop-2-enoate, methyl 3-(1H-1,2,3-benzotriazol-1-yl)-2-(benzoylamino)acrylate
Technical Specifications
| Molecular Formula | C17H14N4O3 |
| Molecular Weight | 322.1066 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 86.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.1066 Da |
| Heavy Atoms | 24 |
| Complexity | 502.0 |
| SMILES | COC(=O)C(=CN1C2=CC=CC=C2N=N1)NC(=O)C3=CC=CC=C3 |
| InChIKey | XWXLYLNCZHLOCT-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-benzamido-3-(benzotriazol-1-yl)prop-2-enoate
Property Insights of Methyl 2-benzamido-3-(benzotriazol-1-yl)prop-2-enoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-benzamido-3-(benzotriazol-1-yl)prop-2-enoate. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-benzamido-3-(benzotriazol-1-yl)prop-2-enoate. Following Lipinski's Rule of Five, Methyl 2-benzamido-3-(benzotriazol-1-yl)prop-2-enoate has 1 hydrogen bond donor(s) and 5 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 2-benzamido-3-(benzotriazol-1-yl)prop-2-enoate?
The CAS number of Methyl 2-benzamido-3-(benzotriazol-1-yl)prop-2-enoate is 123530-55-2.
What is the molecular formula of Methyl 2-benzamido-3-(benzotriazol-1-yl)prop-2-enoate?
The molecular formula of Methyl 2-benzamido-3-(benzotriazol-1-yl)prop-2-enoate is C17H14N4O3.
What is the molecular weight of Methyl 2-benzamido-3-(benzotriazol-1-yl)prop-2-enoate?
The molecular weight of Methyl 2-benzamido-3-(benzotriazol-1-yl)prop-2-enoate is 322.1066 g/mol.
Where can I buy Methyl 2-benzamido-3-(benzotriazol-1-yl)prop-2-enoate?
You can request a quote for Methyl 2-benzamido-3-(benzotriazol-1-yl)prop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-benzamido-3-(benzotriazol-1-yl)prop-2-enoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-benzamido-3-(benzotriazol-1-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.