9-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)acridine
TL;DR: 9-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)acridine (CAS 442660-45-9) is a chemical compound with molecular formula C15H8BrN5O2 and molecular weight 368.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acridine
Also Known As: 9-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)acridine, 1-acridin-9-yl-5-bromo-3-nitro-1,2,4-triazole, 9-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acridine, 9-{5-bromo-3-nitro-1H-1,2,4-triazol-1-yl}acridine, A2807/0118669
| Molecular Formula | C15H8BrN5O2 |
|---|---|
| Molecular Weight | 368.99 g/mol |
| LogP | 3.6394 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 368.98615 |
| Heavy Atoms | 23 |
| Complexity | 1022.0401 |
Chemical Identifiers
| CAS Number | 442660-45-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N4C(=NC(=N4)[N+](=O)[O-])Br |
Product Overview
9-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)acridine (CAS 442660-45-9), with molecular formula C15H8BrN5O2 and molecular weight 368.99 g/mol. IUPAC: 9-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acridine.
Chemical Property Profile of 9-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)acridine
Property Insights of 9-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)acridine
The XLogP value of 3.6394 indicates that 9-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)acridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)acridine. Following Lipinski's Rule of Five, 9-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)acridine has 0 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 9-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)acridine?
The CAS number of 9-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)acridine is 442660-45-9.
What is the molecular formula of 9-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)acridine?
The molecular formula of 9-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)acridine is C15H8BrN5O2.
What is the molecular weight of 9-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)acridine?
The molecular weight of 9-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)acridine is 368.99 g/mol.
Where can I buy 9-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)acridine?
You can request a quote for 9-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)acridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)acridine?
Yes, KEHONG BIO provides custom synthesis services for 9-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)acridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.