5-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)-2-cyclohexylisoindole-1,3-dione
TL;DR: 5-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)-2-cyclohexylisoindole-1,3-dione (CAS 371142-72-2) is a chemical compound with molecular formula C22H17BrN2O4 and molecular weight 452.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-cyclohexylisoindole-1,3-dione
Also Known As: TimTec1_005982, A2896/0121985, 5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-cyclohexylisoindole-1,3-dione, 5-(6-bromo-4-oxo-4H-3,1-benzoxazin-2-yl)-2-cyclohexyl-1H-isoindole-1,3(2H)-dione, 5-(6-bromo-4-oxo-4H-benzo[d][1,3]oxazin-2-yl)-2-cyclohexylisoindoline-1,3-dione
| Molecular Formula | C22H17BrN2O4 |
|---|---|
| Molecular Weight | 452.04 g/mol |
| LogP | 4.5462 |
| Topological Polar Surface Area | 80.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 452.03717 |
| Heavy Atoms | 29 |
| Complexity | 1227.1996 |
Chemical Identifiers
| CAS Number | 371142-72-2 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(C=C(C=C5)Br)C(=O)O4 |
Product Overview
5-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)-2-cyclohexylisoindole-1,3-dione (CAS 371142-72-2), with molecular formula C22H17BrN2O4 and molecular weight 452.04 g/mol. IUPAC: 5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-cyclohexylisoindole-1,3-dione.
Chemical Property Profile of 5-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)-2-cyclohexylisoindole-1,3-dione
Property Insights of 5-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)-2-cyclohexylisoindole-1,3-dione
The XLogP value of 4.5462 indicates that 5-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)-2-cyclohexylisoindole-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)-2-cyclohexylisoindole-1,3-dione. Following Lipinski's Rule of Five, 5-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)-2-cyclohexylisoindole-1,3-dione 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 5-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)-2-cyclohexylisoindole-1,3-dione?
The CAS number of 5-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)-2-cyclohexylisoindole-1,3-dione is 371142-72-2.
What is the molecular formula of 5-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)-2-cyclohexylisoindole-1,3-dione?
The molecular formula of 5-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)-2-cyclohexylisoindole-1,3-dione is C22H17BrN2O4.
What is the molecular weight of 5-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)-2-cyclohexylisoindole-1,3-dione?
The molecular weight of 5-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)-2-cyclohexylisoindole-1,3-dione is 452.04 g/mol.
Where can I buy 5-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)-2-cyclohexylisoindole-1,3-dione?
You can request a quote for 5-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)-2-cyclohexylisoindole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)-2-cyclohexylisoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)-2-cyclohexylisoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.