1H-Benzotriazole-1-ethanol, 5-ethoxy-6-nitro-
TL;DR: 1H-Benzotriazole-1-ethanol, 5-ethoxy-6-nitro- (CAS 94120-25-9) is a chemical compound with molecular formula C10H12N4O4 and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-ethoxy-6-nitrobenzotriazol-1-yl)ethanol
Also Known As: 5-Ethoxy-6-nitro-1H-benzotriazole-1-ethanol, 1H-BENZOTRIAZOLE-1-ETHANOL, 5-ETHOXY-6-NITRO-, 2-(5-ethoxy-6-nitrobenzotriazol-1-yl)ethanol, 2-(5-Ethoxy-6-nitro-1H-benzo[d][1,2,3]triazol-1-yl)ethanol, 2-(5-Ethoxy-6-nitro-1H-1,2,3-benzotriazol-1-yl)ethan-1-ol
| Molecular Formula | C10H12N4O4 |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.08586 |
| Heavy Atoms | 18 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 94120-25-9 |
|---|---|
| SMILES | CCOC1=C(C=C2C(=C1)N=NN2CCO)[N+](=O)[O-] |
| InChIKey | YSFDRWBKHHFSNZ-UHFFFAOYSA-N |
Product Overview
1H-Benzotriazole-1-ethanol, 5-ethoxy-6-nitro- (CAS 94120-25-9), with molecular formula C10H12N4O4 and molecular weight 252.09 g/mol. IUPAC: 2-(5-ethoxy-6-nitrobenzotriazol-1-yl)ethanol.
Chemical Property Profile of 1H-Benzotriazole-1-ethanol, 5-ethoxy-6-nitro-
Property Insights of 1H-Benzotriazole-1-ethanol, 5-ethoxy-6-nitro-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzotriazole-1-ethanol, 5-ethoxy-6-nitro-. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzotriazole-1-ethanol, 5-ethoxy-6-nitro-. Following Lipinski's Rule of Five, 1H-Benzotriazole-1-ethanol, 5-ethoxy-6-nitro- has 1 hydrogen bond donor(s) and 6 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 1H-Benzotriazole-1-ethanol, 5-ethoxy-6-nitro-?
The CAS number of 1H-Benzotriazole-1-ethanol, 5-ethoxy-6-nitro- is 94120-25-9.
What is the molecular formula of 1H-Benzotriazole-1-ethanol, 5-ethoxy-6-nitro-?
The molecular formula of 1H-Benzotriazole-1-ethanol, 5-ethoxy-6-nitro- is C10H12N4O4.
What is the molecular weight of 1H-Benzotriazole-1-ethanol, 5-ethoxy-6-nitro-?
The molecular weight of 1H-Benzotriazole-1-ethanol, 5-ethoxy-6-nitro- is 252.09 g/mol.
Where can I buy 1H-Benzotriazole-1-ethanol, 5-ethoxy-6-nitro-?
You can request a quote for 1H-Benzotriazole-1-ethanol, 5-ethoxy-6-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzotriazole-1-ethanol, 5-ethoxy-6-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzotriazole-1-ethanol, 5-ethoxy-6-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.