(1-Oxo-1-phenylpropan-2-yl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate
TL;DR: (1-Oxo-1-phenylpropan-2-yl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate (CAS 335211-01-3) is a chemical compound with molecular formula C24H16N2O7 and molecular weight 444.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-oxo-1-phenylpropan-2-yl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate
Also Known As: BAS 02800652, (1-oxo-1-phenylpropan-2-yl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate, 1-methyl-2-oxo-2-phenylethyl 3-{4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}benzoate, 1-oxo-1-phenylpropan-2-yl 3-(4-nitro-1,3-dioxoisoindolin-2-yl)benzoate, 1-oxo-1-phenylpropan-2-yl 3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
| Molecular Formula | C24H16N2O7 |
|---|---|
| Molecular Weight | 444.10 g/mol |
| LogP | 3.8236 |
| Topological Polar Surface Area | 123.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.09576 |
| Heavy Atoms | 33 |
| Complexity | 1317.3978 |
Chemical Identifiers
| CAS Number | 335211-01-3 |
|---|---|
| SMILES | CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-] |
Product Overview
(1-Oxo-1-phenylpropan-2-yl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate (CAS 335211-01-3), with molecular formula C24H16N2O7 and molecular weight 444.10 g/mol. IUPAC: (1-oxo-1-phenylpropan-2-yl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate.
Chemical Property Profile of (1-Oxo-1-phenylpropan-2-yl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate
Property Insights of (1-Oxo-1-phenylpropan-2-yl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate
The XLogP value of 3.8236 indicates that (1-Oxo-1-phenylpropan-2-yl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.89 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-Oxo-1-phenylpropan-2-yl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate. Following Lipinski's Rule of Five, (1-Oxo-1-phenylpropan-2-yl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate 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 (1-Oxo-1-phenylpropan-2-yl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate?
The CAS number of (1-Oxo-1-phenylpropan-2-yl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate is 335211-01-3.
What is the molecular formula of (1-Oxo-1-phenylpropan-2-yl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate?
The molecular formula of (1-Oxo-1-phenylpropan-2-yl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate is C24H16N2O7.
What is the molecular weight of (1-Oxo-1-phenylpropan-2-yl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate?
The molecular weight of (1-Oxo-1-phenylpropan-2-yl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate is 444.10 g/mol.
Where can I buy (1-Oxo-1-phenylpropan-2-yl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate?
You can request a quote for (1-Oxo-1-phenylpropan-2-yl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Oxo-1-phenylpropan-2-yl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (1-Oxo-1-phenylpropan-2-yl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.