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(NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)propylidene]aniline
TL;DR: (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)propylidene]aniline (CAS 125781-62-6) is a chemical compound with molecular formula C15H14N4 and molecular weight 250.12184 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(benzotriazol-1-yl)-N-phenylpropan-1-imine
Also Known As: (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)propylidene]aniline, 1-benzotriazol-1-yl-N-phenyl-propan-1-imine, 1-(benzotriazol-1-yl)-N-phenylpropan-1-imine
Technical Specifications
| Molecular Formula | C15H14N4 |
| Molecular Weight | 250.12184 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.12184 Da |
| Heavy Atoms | 19 |
| Complexity | 322.0 |
| SMILES | CCC(=NC1=CC=CC=C1)N2C3=CC=CC=C3N=N2 |
| InChIKey | UBXFQEHWZJONMH-UHFFFAOYSA-N |
Chemical Property Profile of (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)propylidene]aniline
Property Insights of (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)propylidene]aniline
The XLogP value of 3.3 indicates that (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)propylidene]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)propylidene]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)propylidene]aniline 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 (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)propylidene]aniline?
The CAS number of (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)propylidene]aniline is 125781-62-6.
What is the molecular formula of (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)propylidene]aniline?
The molecular formula of (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)propylidene]aniline is C15H14N4.
What is the molecular weight of (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)propylidene]aniline?
The molecular weight of (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)propylidene]aniline is 250.12184 g/mol.
Where can I buy (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)propylidene]aniline?
You can request a quote for (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)propylidene]aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)propylidene]aniline?
Yes, CoreyChem provides custom synthesis services for (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)propylidene]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.