![2-[(7-Chloro-4-oxo-3,1-benzoxazin-2-yl)methyl]-5-nitroisoindole-1,3-dione structure](/static/products/6842/684236-09-7.webp)
2-[(7-Chloro-4-oxo-3,1-benzoxazin-2-yl)methyl]-5-nitroisoindole-1,3-dione
TL;DR: 2-[(7-Chloro-4-oxo-3,1-benzoxazin-2-yl)methyl]-5-nitroisoindole-1,3-dione (CAS 684236-09-7) is a chemical compound with molecular formula C17H8ClN3O6 and molecular weight 385.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(7-chloro-4-oxo-3,1-benzoxazin-2-yl)methyl]-5-nitroisoindole-1,3-dione
Also Known As: 2-[(7-chloro-4-oxo-3,1-benzoxazin-2-yl)methyl]-5-nitroisoindole-1,3-dione, 2-[(7-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione, 2-[(7-CHLORO-4-OXO-4H-3,1-BENZOXAZIN-2-YL)METHYL]-5-NITRO-2,3-DIHYDRO-1H-ISOINDOLE-1,3-DIONE
| Molecular Formula | C17H8ClN3O6 |
|---|---|
| Molecular Weight | 385.01 g/mol |
| LogP | 2.5458 |
| Topological Polar Surface Area | 123.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.01016 |
| Heavy Atoms | 27 |
| Complexity | 1219.0045 |
Chemical Identifiers
| CAS Number | 684236-09-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CC3=NC4=C(C=CC(=C4)Cl)C(=O)O3 |
Product Overview
2-[(7-Chloro-4-oxo-3,1-benzoxazin-2-yl)methyl]-5-nitroisoindole-1,3-dione (CAS 684236-09-7), with molecular formula C17H8ClN3O6 and molecular weight 385.01 g/mol. IUPAC: 2-[(7-chloro-4-oxo-3,1-benzoxazin-2-yl)methyl]-5-nitroisoindole-1,3-dione.
Chemical Property Profile of 2-[(7-Chloro-4-oxo-3,1-benzoxazin-2-yl)methyl]-5-nitroisoindole-1,3-dione
Property Insights of 2-[(7-Chloro-4-oxo-3,1-benzoxazin-2-yl)methyl]-5-nitroisoindole-1,3-dione
The XLogP value of 2.5458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(7-Chloro-4-oxo-3,1-benzoxazin-2-yl)methyl]-5-nitroisoindole-1,3-dione. The TPSA of 123.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(7-Chloro-4-oxo-3,1-benzoxazin-2-yl)methyl]-5-nitroisoindole-1,3-dione. Following Lipinski's Rule of Five, 2-[(7-Chloro-4-oxo-3,1-benzoxazin-2-yl)methyl]-5-nitroisoindole-1,3-dione has 0 hydrogen bond donor(s) and 7 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-[(7-Chloro-4-oxo-3,1-benzoxazin-2-yl)methyl]-5-nitroisoindole-1,3-dione?
The CAS number of 2-[(7-Chloro-4-oxo-3,1-benzoxazin-2-yl)methyl]-5-nitroisoindole-1,3-dione is 684236-09-7.
What is the molecular formula of 2-[(7-Chloro-4-oxo-3,1-benzoxazin-2-yl)methyl]-5-nitroisoindole-1,3-dione?
The molecular formula of 2-[(7-Chloro-4-oxo-3,1-benzoxazin-2-yl)methyl]-5-nitroisoindole-1,3-dione is C17H8ClN3O6.
What is the molecular weight of 2-[(7-Chloro-4-oxo-3,1-benzoxazin-2-yl)methyl]-5-nitroisoindole-1,3-dione?
The molecular weight of 2-[(7-Chloro-4-oxo-3,1-benzoxazin-2-yl)methyl]-5-nitroisoindole-1,3-dione is 385.01 g/mol.
Where can I buy 2-[(7-Chloro-4-oxo-3,1-benzoxazin-2-yl)methyl]-5-nitroisoindole-1,3-dione?
You can request a quote for 2-[(7-Chloro-4-oxo-3,1-benzoxazin-2-yl)methyl]-5-nitroisoindole-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-[(7-Chloro-4-oxo-3,1-benzoxazin-2-yl)methyl]-5-nitroisoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[(7-Chloro-4-oxo-3,1-benzoxazin-2-yl)methyl]-5-nitroisoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.