2-(4-Bromo-3-methylphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione
TL;DR: 2-(4-Bromo-3-methylphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione (CAS 385385-33-1) is a chemical compound with molecular formula C23H13BrN2O4 and molecular weight 460.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromo-3-methylphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione
Also Known As: 2-(4-bromo-3-methylphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione, 2-(4-bromo-3-methylphenyl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1H-isoindole-1,3(2H)-dione, 2-(4-bromo-3-methylphenyl)-5-(4-oxo-4H-benzo[d][1,3]oxazin-2-yl)isoindoline-1,3-dione, 2-(4-BROMO-3-METHYLPHENYL)-5-(4-OXO-4H-3,1-BENZOXAZIN-2-YL)-2,3-DIHYDRO-1H-ISOINDOLE-1,3-DIONE
| Molecular Formula | C23H13BrN2O4 |
|---|---|
| Molecular Weight | 460.01 g/mol |
| LogP | 4.72652 |
| Topological Polar Surface Area | 80.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 460.00586 |
| Heavy Atoms | 30 |
| Complexity | 1441.0902 |
Chemical Identifiers
| CAS Number | 385385-33-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4)Br |
Product Overview
2-(4-Bromo-3-methylphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione (CAS 385385-33-1), with molecular formula C23H13BrN2O4 and molecular weight 460.01 g/mol. IUPAC: 2-(4-bromo-3-methylphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione.
Chemical Property Profile of 2-(4-Bromo-3-methylphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione
Property Insights of 2-(4-Bromo-3-methylphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione
The XLogP value of 4.72652 indicates that 2-(4-Bromo-3-methylphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-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 2-(4-Bromo-3-methylphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione. Following Lipinski's Rule of Five, 2-(4-Bromo-3-methylphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-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 2-(4-Bromo-3-methylphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione?
The CAS number of 2-(4-Bromo-3-methylphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione is 385385-33-1.
What is the molecular formula of 2-(4-Bromo-3-methylphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione?
The molecular formula of 2-(4-Bromo-3-methylphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione is C23H13BrN2O4.
What is the molecular weight of 2-(4-Bromo-3-methylphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione?
The molecular weight of 2-(4-Bromo-3-methylphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione is 460.01 g/mol.
Where can I buy 2-(4-Bromo-3-methylphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione?
You can request a quote for 2-(4-Bromo-3-methylphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-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 2-(4-Bromo-3-methylphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromo-3-methylphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.