(S)-Ethyl 3-(4-aminophenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoate
TL;DR: (S)-Ethyl 3-(4-aminophenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoate (CAS 75579-38-3) is a chemical compound with molecular formula C19H18N2O4 and molecular weight 338.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-3-(4-aminophenyl)-2-(1,3-dioxoisoindol-2-yl)propanoate
Also Known As: (S)-Ethyl 3-(4-aminophenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoate, Melphalan Impurity 33, 4-Amino-L-phenyl-N-phthalylalanine ethyl ester, EINECS 277-979-8, 1623AC
| Molecular Formula | C19H18N2O4 |
|---|---|
| Molecular Weight | 338.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 89.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.12665 |
| Heavy Atoms | 25 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 75579-38-3 |
|---|---|
| SMILES | CCOC(=O)[C@H](CC1=CC=C(C=C1)N)N2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | RYROTMZMTMCWEP-INIZCTEOSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(S)-Ethyl 3-(4-aminophenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoate (CAS 75579-38-3), with molecular formula C19H18N2O4 and molecular weight 338.13 g/mol. IUPAC: ethyl (2S)-3-(4-aminophenyl)-2-(1,3-dioxoisoindol-2-yl)propanoate.
Chemical Property Profile of (S)-Ethyl 3-(4-aminophenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoate
Property Insights of (S)-Ethyl 3-(4-aminophenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-Ethyl 3-(4-aminophenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoate. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-Ethyl 3-(4-aminophenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoate. Following Lipinski's Rule of Five, (S)-Ethyl 3-(4-aminophenyl)-2-(1,3-dioxoisoindolin-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 (S)-Ethyl 3-(4-aminophenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoate?
The CAS number of (S)-Ethyl 3-(4-aminophenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoate is 75579-38-3.
What is the molecular formula of (S)-Ethyl 3-(4-aminophenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoate?
The molecular formula of (S)-Ethyl 3-(4-aminophenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoate is C19H18N2O4.
What is the molecular weight of (S)-Ethyl 3-(4-aminophenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoate?
The molecular weight of (S)-Ethyl 3-(4-aminophenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoate is 338.13 g/mol.
Where can I buy (S)-Ethyl 3-(4-aminophenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoate?
You can request a quote for (S)-Ethyl 3-(4-aminophenyl)-2-(1,3-dioxoisoindolin-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 (S)-Ethyl 3-(4-aminophenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-Ethyl 3-(4-aminophenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.