4-Nitrophenyl (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
TL;DR: 4-Nitrophenyl (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate (CAS 3401-39-6) is a chemical compound with molecular formula C17H12N2O6 and molecular weight 340.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
Also Known As: (4-nitrophenyl) (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate, 4-Nitrophenyl (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate, 2H-Isoindole-2-acetic acid, 1,3-dihydro-alpha-methyl-1,3-dioxo-, 4-nitrophenyl ester, (S)-, 2H-Isoindole-2-acetic acid, 1,3-dihydro-I+/--methyl-1,3-dioxo-, 4-nitrophenyl ester, (S)-
| Molecular Formula | C17H12N2O6 |
|---|---|
| Molecular Weight | 340.07 g/mol |
| LogP | 2.1849 |
| Topological Polar Surface Area | 106.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.06955 |
| Heavy Atoms | 25 |
| Complexity | 855.266 |
Chemical Identifiers
| CAS Number | 3401-39-6 |
|---|---|
| SMILES | C[C@@H](C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O |
Product Overview
4-Nitrophenyl (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate (CAS 3401-39-6), with molecular formula C17H12N2O6 and molecular weight 340.07 g/mol. IUPAC: (4-nitrophenyl) (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate.
Chemical Property Profile of 4-Nitrophenyl (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
Property Insights of 4-Nitrophenyl (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
The XLogP value of 2.1849 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenyl (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate. The TPSA of 106.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate. Following Lipinski's Rule of Five, 4-Nitrophenyl (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate has 0 hydrogen bond donor(s) and 6 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 4-Nitrophenyl (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate?
The CAS number of 4-Nitrophenyl (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate is 3401-39-6.
What is the molecular formula of 4-Nitrophenyl (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate?
The molecular formula of 4-Nitrophenyl (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate is C17H12N2O6.
What is the molecular weight of 4-Nitrophenyl (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate?
The molecular weight of 4-Nitrophenyl (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate is 340.07 g/mol.
Where can I buy 4-Nitrophenyl (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate?
You can request a quote for 4-Nitrophenyl (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.