![1-{2-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone structure](/static/products/3316/331657-84-2.webp)
1-{2-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone
TL;DR: 1-{2-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone (CAS 331657-84-2) is a chemical compound with molecular formula C15H14N4O and molecular weight 266.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(benzotriazol-1-ylmethylamino)phenyl]ethanone
Also Known As: starbld0024346, 1-[2-(benzotriazol-1-ylmethylamino)phenyl]ethanone, 1-{2-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone, 1-acetyl-2-[(benzotriazolylmethyl)amino]benzene, 1-{2-[(Benzotriazol-1-ylmethyl)-amino]-phenyl}-ethanone
| Molecular Formula | C15H14N4O |
|---|---|
| Molecular Weight | 266.12 g/mol |
| LogP | 2.7035 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.11676 |
| Heavy Atoms | 20 |
| Complexity | 763.1643 |
Chemical Identifiers
| CAS Number | 331657-84-2 |
|---|---|
| SMILES | CC(=O)C1=CC=CC=C1NCN2C3=CC=CC=C3N=N2 |
Product Overview
1-{2-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone (CAS 331657-84-2), with molecular formula C15H14N4O and molecular weight 266.12 g/mol. IUPAC: 1-[2-(benzotriazol-1-ylmethylamino)phenyl]ethanone.
Chemical Property Profile of 1-{2-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone
Property Insights of 1-{2-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone
The XLogP value of 2.7035 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{2-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone. With a topological polar surface area (TPSA) of 59.81 Ų, 1-{2-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{2-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-{2-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone?
The CAS number of 1-{2-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone is 331657-84-2.
What is the molecular formula of 1-{2-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone?
The molecular formula of 1-{2-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone is C15H14N4O.
What is the molecular weight of 1-{2-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone?
The molecular weight of 1-{2-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone is 266.12 g/mol.
Where can I buy 1-{2-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone?
You can request a quote for 1-{2-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{2-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-{2-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.