Methyl 3-(3-aminophenyl)-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate
TL;DR: Methyl 3-(3-aminophenyl)-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate (CAS 71172-71-9) is a chemical compound with molecular formula C18H16N2O4 and molecular weight 324.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3-aminophenyl)-3-(1,3-dioxoisoindol-2-yl)propanoate
Also Known As: methyl 3-(3-aminophenyl)-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate, methyl 3-(3-aminophenyl)-3-(1,3-dioxoisoindol-2-yl)propanoate
| Molecular Formula | C18H16N2O4 |
|---|---|
| Molecular Weight | 324.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 89.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.111 |
| Heavy Atoms | 24 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 71172-71-9 |
|---|---|
| SMILES | COC(=O)CC(C1=CC(=CC=C1)N)N2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | WKLAQVULPUBSCG-UHFFFAOYSA-N |
Product Overview
Methyl 3-(3-aminophenyl)-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate (CAS 71172-71-9), with molecular formula C18H16N2O4 and molecular weight 324.11 g/mol. IUPAC: methyl 3-(3-aminophenyl)-3-(1,3-dioxoisoindol-2-yl)propanoate.
Chemical Property Profile of Methyl 3-(3-aminophenyl)-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate
Property Insights of Methyl 3-(3-aminophenyl)-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(3-aminophenyl)-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(3-aminophenyl)-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate. Following Lipinski's Rule of Five, Methyl 3-(3-aminophenyl)-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate has 1 hydrogen bond donor(s) and 5 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 3-(3-aminophenyl)-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate?
The CAS number of Methyl 3-(3-aminophenyl)-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate is 71172-71-9.
What is the molecular formula of Methyl 3-(3-aminophenyl)-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate?
The molecular formula of Methyl 3-(3-aminophenyl)-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate is C18H16N2O4.
What is the molecular weight of Methyl 3-(3-aminophenyl)-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate?
The molecular weight of Methyl 3-(3-aminophenyl)-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate is 324.11 g/mol.
Where can I buy Methyl 3-(3-aminophenyl)-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate?
You can request a quote for Methyl 3-(3-aminophenyl)-3-(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 Methyl 3-(3-aminophenyl)-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(3-aminophenyl)-3-(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.