![1H-1,2,3-benzotriazole, 1-[(1E)-1-ethoxy-1-propenyl]- structure](/static/products/158/158321-87-0.webp)
1H-1,2,3-benzotriazole, 1-[(1E)-1-ethoxy-1-propenyl]-
TL;DR: 1H-1,2,3-benzotriazole, 1-[(1E)-1-ethoxy-1-propenyl]- (CAS 158321-87-0) is a chemical compound with molecular formula C11H13N3O and molecular weight 203.10587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(E)-1-ethoxyprop-1-enyl]benzotriazole
Also Known As: Ethyl 1-(benzotriazol-1-yl)-1-propenyl ether, 1-(1-Ethoxy-1-propenyl)-1H-benzotriazole, 1-[(E)-1-ethoxyprop-1-enyl]benzotriazole, 1H-1,2,3-benzotriazole, 1-[(1E)-1-ethoxy-1-propenyl]-, 1-(1-ethoxyprop-1-en-1-yl)-1H-1,2,3-benzotriazole
Technical Specifications
| Molecular Formula | C11H13N3O |
| Molecular Weight | 203.10587 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 39.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.10587 Da |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
| SMILES | CCO/C(=C/C)/N1C2=CC=CC=C2N=N1 |
| InChIKey | FFINPDBVAZLCGK-QDEBKDIKSA-N |
Chemical Property Profile of 1H-1,2,3-benzotriazole, 1-[(1E)-1-ethoxy-1-propenyl]-
Property Insights of 1H-1,2,3-benzotriazole, 1-[(1E)-1-ethoxy-1-propenyl]-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,3-benzotriazole, 1-[(1E)-1-ethoxy-1-propenyl]-. With a topological polar surface area (TPSA) of 39.9 Ų, 1H-1,2,3-benzotriazole, 1-[(1E)-1-ethoxy-1-propenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,3-benzotriazole, 1-[(1E)-1-ethoxy-1-propenyl]- 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 1H-1,2,3-benzotriazole, 1-[(1E)-1-ethoxy-1-propenyl]-?
The CAS number of 1H-1,2,3-benzotriazole, 1-[(1E)-1-ethoxy-1-propenyl]- is 158321-87-0.
What is the molecular formula of 1H-1,2,3-benzotriazole, 1-[(1E)-1-ethoxy-1-propenyl]-?
The molecular formula of 1H-1,2,3-benzotriazole, 1-[(1E)-1-ethoxy-1-propenyl]- is C11H13N3O.
What is the molecular weight of 1H-1,2,3-benzotriazole, 1-[(1E)-1-ethoxy-1-propenyl]-?
The molecular weight of 1H-1,2,3-benzotriazole, 1-[(1E)-1-ethoxy-1-propenyl]- is 203.10587 g/mol.
Where can I buy 1H-1,2,3-benzotriazole, 1-[(1E)-1-ethoxy-1-propenyl]-?
You can request a quote for 1H-1,2,3-benzotriazole, 1-[(1E)-1-ethoxy-1-propenyl]- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-1,2,3-benzotriazole, 1-[(1E)-1-ethoxy-1-propenyl]-?
Yes, CoreyChem provides custom synthesis services for 1H-1,2,3-benzotriazole, 1-[(1E)-1-ethoxy-1-propenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.