Methyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-(4-nitrophenyl)propanoate
TL;DR: Methyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-(4-nitrophenyl)propanoate (CAS 5472-61-7) is a chemical compound with molecular formula C18H14N2O6 and molecular weight 354.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanoate
Also Known As: methyl 2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanoate, methyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-(4-nitrophenyl)propanoate, 4-Nitro-alpha-[(1,3-dioxo-1,3-dihydro-2H-isoindol)-2-yl]benzenepropanoic acid methyl ester, methyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(4-nitrophenyl)propanoate
| Molecular Formula | C18H14N2O6 |
|---|---|
| Molecular Weight | 354.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.08517 |
| Heavy Atoms | 26 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 5472-61-7 |
|---|---|
| SMILES | COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | CHIVETSRXYVCAS-UHFFFAOYSA-N |
Product Overview
Methyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-(4-nitrophenyl)propanoate (CAS 5472-61-7), with molecular formula C18H14N2O6 and molecular weight 354.09 g/mol. IUPAC: methyl 2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanoate.
Chemical Property Profile of Methyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-(4-nitrophenyl)propanoate
Property Insights of Methyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-(4-nitrophenyl)propanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-(4-nitrophenyl)propanoate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-(4-nitrophenyl)propanoate. Following Lipinski's Rule of Five, Methyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-(4-nitrophenyl)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 Methyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-(4-nitrophenyl)propanoate?
The CAS number of Methyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-(4-nitrophenyl)propanoate is 5472-61-7.
What is the molecular formula of Methyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-(4-nitrophenyl)propanoate?
The molecular formula of Methyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-(4-nitrophenyl)propanoate is C18H14N2O6.
What is the molecular weight of Methyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-(4-nitrophenyl)propanoate?
The molecular weight of Methyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-(4-nitrophenyl)propanoate is 354.09 g/mol.
Where can I buy Methyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-(4-nitrophenyl)propanoate?
You can request a quote for Methyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-(4-nitrophenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-(4-nitrophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-(4-nitrophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.