5-Amino-2-(4'-nitrophenyl)benzotri-azole
TL;DR: 5-Amino-2-(4'-nitrophenyl)benzotri-azole (CAS 40655-13-8) is a chemical compound with molecular formula C12H9N5O2 and molecular weight 255.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)benzotriazol-5-amine
Also Known As: DivK1c_004942, CDS1_003902, 5-amino-2-(4'-nitrophenyl)benzotriazole, 2-(4-nitrophenyl)benzotriazol-5-amine, 5-amino-2-(4'-nitrophenyl)benzotri-azole
| Molecular Formula | C12H9N5O2 |
|---|---|
| Molecular Weight | 255.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.07562 |
| Heavy Atoms | 19 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 40655-13-8 |
|---|---|
| SMILES | C1=CC(=CC=C1N2N=C3C=CC(=CC3=N2)N)[N+](=O)[O-] |
| InChIKey | CBZLPVYUKQTSRC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Amino-2-(4'-nitrophenyl)benzotri-azole (CAS 40655-13-8), with molecular formula C12H9N5O2 and molecular weight 255.08 g/mol. IUPAC: 2-(4-nitrophenyl)benzotriazol-5-amine.
Chemical Property Profile of 5-Amino-2-(4'-nitrophenyl)benzotri-azole
Property Insights of 5-Amino-2-(4'-nitrophenyl)benzotri-azole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-2-(4'-nitrophenyl)benzotri-azole. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-2-(4'-nitrophenyl)benzotri-azole. Following Lipinski's Rule of Five, 5-Amino-2-(4'-nitrophenyl)benzotri-azole has 1 hydrogen bond donor(s) and 5 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 5-Amino-2-(4'-nitrophenyl)benzotri-azole?
The CAS number of 5-Amino-2-(4'-nitrophenyl)benzotri-azole is 40655-13-8.
What is the molecular formula of 5-Amino-2-(4'-nitrophenyl)benzotri-azole?
The molecular formula of 5-Amino-2-(4'-nitrophenyl)benzotri-azole is C12H9N5O2.
What is the molecular weight of 5-Amino-2-(4'-nitrophenyl)benzotri-azole?
The molecular weight of 5-Amino-2-(4'-nitrophenyl)benzotri-azole is 255.08 g/mol.
Where can I buy 5-Amino-2-(4'-nitrophenyl)benzotri-azole?
You can request a quote for 5-Amino-2-(4'-nitrophenyl)benzotri-azole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-2-(4'-nitrophenyl)benzotri-azole?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-2-(4'-nitrophenyl)benzotri-azole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.