1-(1-Ethoxy-2-propynyl)-1H-benzotriazole
TL;DR: 1-(1-Ethoxy-2-propynyl)-1H-benzotriazole (CAS 171815-58-0) is a chemical compound with molecular formula C11H11N3O and molecular weight 201.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-ethoxyprop-2-ynyl)benzotriazole
Also Known As: 1-(1-ethoxyprop-2-ynyl)benzotriazole, 1-(1-ETHOXY-2-PROPYNYL)-1H-BENZOTRIAZOLE, 1,3-Bis(o-methylphenoxy)-2-propanol, 1-(1-Ethoxypropargyl)-1H-benzotriazole, 1H-Benzotriazole,1-(1-ethoxy-2-propyn-1-yl)-
| Molecular Formula | C11H11N3O |
|---|---|
| Molecular Weight | 201.09 g/mol |
| LogP | 1.5996 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.09021 |
| Heavy Atoms | 15 |
| Complexity | 497.7475 |
Chemical Identifiers
| CAS Number | 171815-58-0 |
|---|---|
| SMILES | CCOC(C#C)N1C2=CC=CC=C2N=N1 |
Product Overview
1-(1-Ethoxy-2-propynyl)-1H-benzotriazole (CAS 171815-58-0), with molecular formula C11H11N3O and molecular weight 201.09 g/mol. IUPAC: 1-(1-ethoxyprop-2-ynyl)benzotriazole.
Chemical Property Profile of 1-(1-Ethoxy-2-propynyl)-1H-benzotriazole
Property Insights of 1-(1-Ethoxy-2-propynyl)-1H-benzotriazole
The XLogP value of 1.5996 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Ethoxy-2-propynyl)-1H-benzotriazole. With a topological polar surface area (TPSA) of 39.94 Ų, 1-(1-Ethoxy-2-propynyl)-1H-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Ethoxy-2-propynyl)-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-(1-Ethoxy-2-propynyl)-1H-benzotriazole?
The CAS number of 1-(1-Ethoxy-2-propynyl)-1H-benzotriazole is 171815-58-0.
What is the molecular formula of 1-(1-Ethoxy-2-propynyl)-1H-benzotriazole?
The molecular formula of 1-(1-Ethoxy-2-propynyl)-1H-benzotriazole is C11H11N3O.
What is the molecular weight of 1-(1-Ethoxy-2-propynyl)-1H-benzotriazole?
The molecular weight of 1-(1-Ethoxy-2-propynyl)-1H-benzotriazole is 201.09 g/mol.
Where can I buy 1-(1-Ethoxy-2-propynyl)-1H-benzotriazole?
You can request a quote for 1-(1-Ethoxy-2-propynyl)-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-(1-Ethoxy-2-propynyl)-1H-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Ethoxy-2-propynyl)-1H-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.