1-(Diethoxymethyl)benzotriazole
TL;DR: 1-(Diethoxymethyl)benzotriazole (CAS 161806-75-3) is a chemical compound with molecular formula C11H15N3O2 and molecular weight 221.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diethoxymethyl)benzotriazole
Also Known As: 1-(diethoxymethyl)benzotriazole, (benzotriazol-1-yl)diethoxymethane, 1-(Diethoxymethyl)-1H-benzotriazole, 1-(diethoxymethyl)-1H-1,2,3-benzotriazole
| Molecular Formula | C11H15N3O2 |
|---|---|
| Molecular Weight | 221.12 g/mol |
| LogP | 1.9604 |
| Topological Polar Surface Area | 49.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.11642 |
| Heavy Atoms | 16 |
| Complexity | 449.18134 |
Chemical Identifiers
| CAS Number | 161806-75-3 |
|---|---|
| SMILES | CCOC(N1C2=CC=CC=C2N=N1)OCC |
Product Overview
1-(Diethoxymethyl)benzotriazole (CAS 161806-75-3), with molecular formula C11H15N3O2 and molecular weight 221.12 g/mol. IUPAC: 1-(diethoxymethyl)benzotriazole.
Chemical Property Profile of 1-(Diethoxymethyl)benzotriazole
Property Insights of 1-(Diethoxymethyl)benzotriazole
The XLogP value of 1.9604 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Diethoxymethyl)benzotriazole. With a topological polar surface area (TPSA) of 49.17 Ų, 1-(Diethoxymethyl)benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Diethoxymethyl)benzotriazole has 0 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-(Diethoxymethyl)benzotriazole?
The CAS number of 1-(Diethoxymethyl)benzotriazole is 161806-75-3.
What is the molecular formula of 1-(Diethoxymethyl)benzotriazole?
The molecular formula of 1-(Diethoxymethyl)benzotriazole is C11H15N3O2.
What is the molecular weight of 1-(Diethoxymethyl)benzotriazole?
The molecular weight of 1-(Diethoxymethyl)benzotriazole is 221.12 g/mol.
Where can I buy 1-(Diethoxymethyl)benzotriazole?
You can request a quote for 1-(Diethoxymethyl)benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Diethoxymethyl)benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(Diethoxymethyl)benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.