![2-[3-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione structure](/static/products/3306/330634-99-6.webp)
2-[3-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione
TL;DR: 2-[3-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione (CAS 330634-99-6) is a chemical compound with molecular formula C28H14BrN3O7 and molecular weight 583.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione
Also Known As: 2-[3-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione, 2-[3-(6-bromo-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)-1H-isoindole-1,3(2H)-dione, 2-(3-(6-Bromo-4-oxo-4H-benzo[d][1,3]oxazin-2-yl)phenyl)-5-(3-nitrophenoxy)isoindoline-1,3-dione, 2-[3-(6-BROMO-4-OXO-4H-3,1-BENZOXAZIN-2-YL)PHENYL]-5-(3-NITROPHENOXY)-2,3-DIHYDRO-1H-ISOINDOLE-1,3-DIONE
| Molecular Formula | C28H14BrN3O7 |
|---|---|
| Molecular Weight | 583.00 g/mol |
| LogP | 6.1186 |
| Topological Polar Surface Area | 132.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 583.0015 |
| Heavy Atoms | 39 |
| Complexity | 1917.8939 |
Chemical Identifiers
| CAS Number | 330634-99-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC(=C4)[N+](=O)[O-])C5=NC6=C(C=C(C=C6)Br)C(=O)O5 |
Product Overview
2-[3-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione (CAS 330634-99-6), with molecular formula C28H14BrN3O7 and molecular weight 583.00 g/mol. IUPAC: 2-[3-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione.
Chemical Property Profile of 2-[3-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione
Property Insights of 2-[3-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione
The XLogP value of 6.1186 indicates that 2-[3-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione. Following Lipinski's Rule of Five, 2-[3-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[3-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione?
The CAS number of 2-[3-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione is 330634-99-6.
What is the molecular formula of 2-[3-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione?
The molecular formula of 2-[3-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione is C28H14BrN3O7.
What is the molecular weight of 2-[3-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione?
The molecular weight of 2-[3-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione is 583.00 g/mol.
Where can I buy 2-[3-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione?
You can request a quote for 2-[3-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)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-[3-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.