1-(1-Nitrobutan-2-yl)benzotriazole
TL;DR: 1-(1-Nitrobutan-2-yl)benzotriazole (CAS 26947-61-5) is a chemical compound with molecular formula C10H12N4O2 and molecular weight 220.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-nitrobutan-2-yl)benzotriazole
Also Known As: 1-(1-nitrobutan-2-yl)benzotriazole, 1-(1-nitrobutan-2-yl)-1H-benzo[d][1,2,3]triazole
| Molecular Formula | C10H12N4O2 |
|---|---|
| Molecular Weight | 220.10 g/mol |
| LogP | 1.6591 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.09602 |
| Heavy Atoms | 16 |
| Complexity | 508.24326 |
Chemical Identifiers
| CAS Number | 26947-61-5 |
|---|---|
| SMILES | CCC(C[N+](=O)[O-])N1C2=CC=CC=C2N=N1 |
Product Overview
1-(1-Nitrobutan-2-yl)benzotriazole (CAS 26947-61-5), with molecular formula C10H12N4O2 and molecular weight 220.10 g/mol. IUPAC: 1-(1-nitrobutan-2-yl)benzotriazole.
Chemical Property Profile of 1-(1-Nitrobutan-2-yl)benzotriazole
Property Insights of 1-(1-Nitrobutan-2-yl)benzotriazole
The XLogP value of 1.6591 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Nitrobutan-2-yl)benzotriazole. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-Nitrobutan-2-yl)benzotriazole. Following Lipinski's Rule of Five, 1-(1-Nitrobutan-2-yl)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-(1-Nitrobutan-2-yl)benzotriazole?
The CAS number of 1-(1-Nitrobutan-2-yl)benzotriazole is 26947-61-5.
What is the molecular formula of 1-(1-Nitrobutan-2-yl)benzotriazole?
The molecular formula of 1-(1-Nitrobutan-2-yl)benzotriazole is C10H12N4O2.
What is the molecular weight of 1-(1-Nitrobutan-2-yl)benzotriazole?
The molecular weight of 1-(1-Nitrobutan-2-yl)benzotriazole is 220.10 g/mol.
Where can I buy 1-(1-Nitrobutan-2-yl)benzotriazole?
You can request a quote for 1-(1-Nitrobutan-2-yl)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-Nitrobutan-2-yl)benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Nitrobutan-2-yl)benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.