AE-848/32013022
TL;DR: AE-848/32013022 (CAS 324056-83-9) is a chemical compound with molecular formula C21H23BrN2O5 and molecular weight 462.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-bromo-3-nitrobenzoate
Also Known As: AE-848/32013022, [(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-bromo-3-nitrobenzoate, (3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino 2-bromo-3-nitrobenzoate, 4-(((2-bromo-3-nitrobenzoyl)oxy)imino)-2,6-di-tert-butylcyclohexa-2,5-dienone, 2,6-ditert-butylbenzo-1,4-quinone 4-(O-{2-bromo-3-nitrobenzoyl}oxime)
| Molecular Formula | C21H23BrN2O5 |
|---|---|
| Molecular Weight | 462.08 g/mol |
| LogP | 5.3978 |
| Topological Polar Surface Area | 98.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.07904 |
| Heavy Atoms | 29 |
| Complexity | 939.7661 |
Chemical Identifiers
| CAS Number | 324056-83-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=NOC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])Br)C=C(C1=O)C(C)(C)C |
Product Overview
AE-848/32013022 (CAS 324056-83-9), with molecular formula C21H23BrN2O5 and molecular weight 462.08 g/mol. IUPAC: [(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-bromo-3-nitrobenzoate.
Chemical Property Profile of AE-848/32013022
Property Insights of AE-848/32013022
The XLogP value of 5.3978 indicates that AE-848/32013022 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.87 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/32013022. Following Lipinski's Rule of Five, AE-848/32013022 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/32013022?
The CAS number of AE-848/32013022 is 324056-83-9.
What is the molecular formula of AE-848/32013022?
The molecular formula of AE-848/32013022 is C21H23BrN2O5.
What is the molecular weight of AE-848/32013022?
The molecular weight of AE-848/32013022 is 462.08 g/mol.
Where can I buy AE-848/32013022?
You can request a quote for AE-848/32013022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/32013022?
Yes, KEHONG BIO provides custom synthesis services for AE-848/32013022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.