2-(Benzotriazol-1-yl)-1-(3,4-dimethylphenyl)ethanone
TL;DR: 2-(Benzotriazol-1-yl)-1-(3,4-dimethylphenyl)ethanone (CAS 356078-99-4) is a chemical compound with molecular formula C16H15N3O and molecular weight 265.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzotriazol-1-yl)-1-(3,4-dimethylphenyl)ethanone
Also Known As: BAS 06808123, 2-(benzotriazol-1-yl)-1-(3,4-dimethylphenyl)ethanone, 2-Benzotriazol-1-yl-1-(3,4-dimethyl-phenyl)-ethanone, 2-benzotriazolyl-1-(3,4-dimethylphenyl)ethan-1-one, 2-(1H-1,2,3-benzotriazol-1-yl)-1-(3,4-dimethylphenyl)ethanone
| Molecular Formula | C16H15N3O |
|---|---|
| Molecular Weight | 265.12 g/mol |
| LogP | 2.93104 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.12152 |
| Heavy Atoms | 20 |
| Complexity | 789.27124 |
Chemical Identifiers
| CAS Number | 356078-99-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)CN2C3=CC=CC=C3N=N2)C |
Product Overview
2-(Benzotriazol-1-yl)-1-(3,4-dimethylphenyl)ethanone (CAS 356078-99-4), with molecular formula C16H15N3O and molecular weight 265.12 g/mol. IUPAC: 2-(benzotriazol-1-yl)-1-(3,4-dimethylphenyl)ethanone.
Chemical Property Profile of 2-(Benzotriazol-1-yl)-1-(3,4-dimethylphenyl)ethanone
Property Insights of 2-(Benzotriazol-1-yl)-1-(3,4-dimethylphenyl)ethanone
The XLogP value of 2.93104 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzotriazol-1-yl)-1-(3,4-dimethylphenyl)ethanone. With a topological polar surface area (TPSA) of 47.78 Ų, 2-(Benzotriazol-1-yl)-1-(3,4-dimethylphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzotriazol-1-yl)-1-(3,4-dimethylphenyl)ethanone 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
Frequently Asked Questions
What is the CAS number of 2-(Benzotriazol-1-yl)-1-(3,4-dimethylphenyl)ethanone?
The CAS number of 2-(Benzotriazol-1-yl)-1-(3,4-dimethylphenyl)ethanone is 356078-99-4.
What is the molecular formula of 2-(Benzotriazol-1-yl)-1-(3,4-dimethylphenyl)ethanone?
The molecular formula of 2-(Benzotriazol-1-yl)-1-(3,4-dimethylphenyl)ethanone is C16H15N3O.
What is the molecular weight of 2-(Benzotriazol-1-yl)-1-(3,4-dimethylphenyl)ethanone?
The molecular weight of 2-(Benzotriazol-1-yl)-1-(3,4-dimethylphenyl)ethanone is 265.12 g/mol.
Where can I buy 2-(Benzotriazol-1-yl)-1-(3,4-dimethylphenyl)ethanone?
You can request a quote for 2-(Benzotriazol-1-yl)-1-(3,4-dimethylphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzotriazol-1-yl)-1-(3,4-dimethylphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzotriazol-1-yl)-1-(3,4-dimethylphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.