![4-[1-(1H-1,2,3-Benzotriazol-1-yl)-2-phenylethyl]aniline structure](/static/products/1537/153729-59-0.webp)
4-[1-(1H-1,2,3-Benzotriazol-1-yl)-2-phenylethyl]aniline
TL;DR: 4-[1-(1H-1,2,3-Benzotriazol-1-yl)-2-phenylethyl]aniline (CAS 153729-59-0) is a chemical compound with molecular formula C20H18N4 and molecular weight 314.15314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[1-(benzotriazol-1-yl)-2-phenylethyl]aniline
Also Known As: 4-[1-(1H-1,2,3-Benzotriazol-1-yl)-2-phenylethyl]aniline, 4-(1-benzotriazol-1-yl-2-phenyl-ethyl)aniline, 4-[1-(benzotriazol-1-yl)-2-phenylethyl]aniline, 2-(benzotriazol-1-yl)-2-(4-aminophenyl)-1-phenylethane
Technical Specifications
| Molecular Formula | C20H18N4 |
| Molecular Weight | 314.15314 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 56.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.15314 Da |
| Heavy Atoms | 24 |
| Complexity | 387.0 |
| SMILES | C1=CC=C(C=C1)CC(C2=CC=C(C=C2)N)N3C4=CC=CC=C4N=N3 |
| InChIKey | AAKPUTFDOVVKOQ-UHFFFAOYSA-N |
Chemical Property Profile of 4-[1-(1H-1,2,3-Benzotriazol-1-yl)-2-phenylethyl]aniline
Property Insights of 4-[1-(1H-1,2,3-Benzotriazol-1-yl)-2-phenylethyl]aniline
The XLogP value of 4.2 indicates that 4-[1-(1H-1,2,3-Benzotriazol-1-yl)-2-phenylethyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.7 Ų, 4-[1-(1H-1,2,3-Benzotriazol-1-yl)-2-phenylethyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[1-(1H-1,2,3-Benzotriazol-1-yl)-2-phenylethyl]aniline has 1 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 4-[1-(1H-1,2,3-Benzotriazol-1-yl)-2-phenylethyl]aniline?
The CAS number of 4-[1-(1H-1,2,3-Benzotriazol-1-yl)-2-phenylethyl]aniline is 153729-59-0.
What is the molecular formula of 4-[1-(1H-1,2,3-Benzotriazol-1-yl)-2-phenylethyl]aniline?
The molecular formula of 4-[1-(1H-1,2,3-Benzotriazol-1-yl)-2-phenylethyl]aniline is C20H18N4.
What is the molecular weight of 4-[1-(1H-1,2,3-Benzotriazol-1-yl)-2-phenylethyl]aniline?
The molecular weight of 4-[1-(1H-1,2,3-Benzotriazol-1-yl)-2-phenylethyl]aniline is 314.15314 g/mol.
Where can I buy 4-[1-(1H-1,2,3-Benzotriazol-1-yl)-2-phenylethyl]aniline?
You can request a quote for 4-[1-(1H-1,2,3-Benzotriazol-1-yl)-2-phenylethyl]aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[1-(1H-1,2,3-Benzotriazol-1-yl)-2-phenylethyl]aniline?
Yes, CoreyChem provides custom synthesis services for 4-[1-(1H-1,2,3-Benzotriazol-1-yl)-2-phenylethyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.