![N-(4-Bromophenyl)-6-oxo-6H-anthra[1,9-CD]isoxazole-3-carboxamide structure](/static/products/899/89972-35-0.png)
N-(4-Bromophenyl)-6-oxo-6H-anthra[1,9-CD]isoxazole-3-carboxamide
TL;DR: N-(4-Bromophenyl)-6-oxo-6H-anthra[1,9-CD]isoxazole-3-carboxamide (CAS 89972-35-0) is a chemical compound with molecular formula C21H11BrN2O3 and molecular weight 418.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaene-12-carboxamide
Also Known As: BAS 01121495, N-(4-BROMOPHENYL)-6-OXO-6H-ANTHRA[1,9-CD]ISOXAZOLE-3-CARBOXAMIDE, A2024/0084962, 6-Oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylic acid (4-bromo-phenyl)-amide, N-(4-bromophenyl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazole-3-carboxamide
| Molecular Formula | C21H11BrN2O3 |
|---|---|
| Molecular Weight | 418.00 g/mol |
| LogP | 5.054 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 417.9953 |
| Heavy Atoms | 27 |
| Complexity | 1242.2642 |
Chemical Identifiers
| CAS Number | 89972-35-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=CC=C(C4=NO3)C(=O)NC5=CC=C(C=C5)Br)C2=O |
Product Overview
N-(4-Bromophenyl)-6-oxo-6H-anthra[1,9-CD]isoxazole-3-carboxamide (CAS 89972-35-0), with molecular formula C21H11BrN2O3 and molecular weight 418.00 g/mol. IUPAC: N-(4-bromophenyl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaene-12-carboxamide.
Chemical Property Profile of N-(4-Bromophenyl)-6-oxo-6H-anthra[1,9-CD]isoxazole-3-carboxamide
Property Insights of N-(4-Bromophenyl)-6-oxo-6H-anthra[1,9-CD]isoxazole-3-carboxamide
The XLogP value of 5.054 indicates that N-(4-Bromophenyl)-6-oxo-6H-anthra[1,9-CD]isoxazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Bromophenyl)-6-oxo-6H-anthra[1,9-CD]isoxazole-3-carboxamide. Following Lipinski's Rule of Five, N-(4-Bromophenyl)-6-oxo-6H-anthra[1,9-CD]isoxazole-3-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-Bromophenyl)-6-oxo-6H-anthra[1,9-CD]isoxazole-3-carboxamide?
The CAS number of N-(4-Bromophenyl)-6-oxo-6H-anthra[1,9-CD]isoxazole-3-carboxamide is 89972-35-0.
What is the molecular formula of N-(4-Bromophenyl)-6-oxo-6H-anthra[1,9-CD]isoxazole-3-carboxamide?
The molecular formula of N-(4-Bromophenyl)-6-oxo-6H-anthra[1,9-CD]isoxazole-3-carboxamide is C21H11BrN2O3.
What is the molecular weight of N-(4-Bromophenyl)-6-oxo-6H-anthra[1,9-CD]isoxazole-3-carboxamide?
The molecular weight of N-(4-Bromophenyl)-6-oxo-6H-anthra[1,9-CD]isoxazole-3-carboxamide is 418.00 g/mol.
Where can I buy N-(4-Bromophenyl)-6-oxo-6H-anthra[1,9-CD]isoxazole-3-carboxamide?
You can request a quote for N-(4-Bromophenyl)-6-oxo-6H-anthra[1,9-CD]isoxazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Bromophenyl)-6-oxo-6H-anthra[1,9-CD]isoxazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Bromophenyl)-6-oxo-6H-anthra[1,9-CD]isoxazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.