N-Acetylbenzotriazole
TL;DR: N-Acetylbenzotriazole (CAS 18773-93-8) is a chemical compound with molecular formula C8H7N3O and molecular weight 161.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzotriazol-1-yl)ethanone
Also Known As: 1-Acetyl-1H-benzotriazole, N-Acetylbenzotriazole, 1H-Benzotriazole, 1-acetyl-, 1-Acetylbenzotriazole, 1-(benzotriazol-1-yl)ethanone
| Molecular Formula | C8H7N3O |
|---|---|
| Molecular Weight | 161.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.05891 |
| Heavy Atoms | 12 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 18773-93-8 |
|---|---|
| SMILES | CC(=O)N1C2=CC=CC=C2N=N1 |
| InChIKey | NIIUIBKEGRPPDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Acetylbenzotriazole (CAS 18773-93-8), with molecular formula C8H7N3O and molecular weight 161.06 g/mol. IUPAC: 1-(benzotriazol-1-yl)ethanone.
Chemical Property Profile of N-Acetylbenzotriazole
Property Insights of N-Acetylbenzotriazole
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetylbenzotriazole. With a topological polar surface area (TPSA) of 47.8 Ų, N-Acetylbenzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Acetylbenzotriazole 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 N-Acetylbenzotriazole?
The CAS number of N-Acetylbenzotriazole is 18773-93-8.
What is the molecular formula of N-Acetylbenzotriazole?
The molecular formula of N-Acetylbenzotriazole is C8H7N3O.
What is the molecular weight of N-Acetylbenzotriazole?
The molecular weight of N-Acetylbenzotriazole is 161.06 g/mol.
Where can I buy N-Acetylbenzotriazole?
You can request a quote for N-Acetylbenzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetylbenzotriazole?
Yes, KEHONG BIO provides custom synthesis services for N-Acetylbenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.