1-(2-Butenoyl)-1H-benzotriazole
TL;DR: 1-(2-Butenoyl)-1H-benzotriazole (CAS 55889-32-2) is a chemical compound with molecular formula C10H9N3O and molecular weight 187.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzotriazol-1-yl)but-2-en-1-one
Also Known As: 1-(2-Butenoyl)-1H-benzotriazole, 1-(benzotriazol-1-yl)but-2-en-1-one, 1-but-2-enoyl-1H-benzotriazole, 1-benzotriazol-1-ylbut-2-en-1-one, 1-(2-Butenoyl)-1H-benzotriazole 97
| Molecular Formula | C10H9N3O |
|---|---|
| Molecular Weight | 187.07 g/mol |
| LogP | 1.6476 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.07455 |
| Heavy Atoms | 14 |
| Complexity | 498.79135 |
Chemical Identifiers
| CAS Number | 55889-32-2 |
|---|---|
| SMILES | CC=CC(=O)N1C2=CC=CC=C2N=N1 |
Product Overview
1-(2-Butenoyl)-1H-benzotriazole (CAS 55889-32-2), with molecular formula C10H9N3O and molecular weight 187.07 g/mol. IUPAC: 1-(benzotriazol-1-yl)but-2-en-1-one.
Chemical Property Profile of 1-(2-Butenoyl)-1H-benzotriazole
Property Insights of 1-(2-Butenoyl)-1H-benzotriazole
The XLogP value of 1.6476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Butenoyl)-1H-benzotriazole. With a topological polar surface area (TPSA) of 47.78 Ų, 1-(2-Butenoyl)-1H-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Butenoyl)-1H-benzotriazole 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 1-(2-Butenoyl)-1H-benzotriazole?
The CAS number of 1-(2-Butenoyl)-1H-benzotriazole is 55889-32-2.
What is the molecular formula of 1-(2-Butenoyl)-1H-benzotriazole?
The molecular formula of 1-(2-Butenoyl)-1H-benzotriazole is C10H9N3O.
What is the molecular weight of 1-(2-Butenoyl)-1H-benzotriazole?
The molecular weight of 1-(2-Butenoyl)-1H-benzotriazole is 187.07 g/mol.
Where can I buy 1-(2-Butenoyl)-1H-benzotriazole?
You can request a quote for 1-(2-Butenoyl)-1H-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Butenoyl)-1H-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Butenoyl)-1H-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.