(S)-3-(4-Acetoxyphenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoic acid
TL;DR: (S)-3-(4-Acetoxyphenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoic acid (CAS 65594-96-9) is a chemical compound with molecular formula C19H15NO6 and molecular weight 353.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-(4-acetyloxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanoic acid
Also Known As: (S)-3-(4-Acetoxyphenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoic acid, (2S)-3-[4-(acetyloxy)phenyl]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid, (2S)-3-[4-(acetyloxy)phenyl]-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid, 3-(4-acetyloxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanoic Acid, (2S)-3-(4-acetyloxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanoic acid
| Molecular Formula | C19H15NO6 |
|---|---|
| Molecular Weight | 353.09 g/mol |
| LogP | 1.9038 |
| Topological Polar Surface Area | 100.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.08994 |
| Heavy Atoms | 26 |
| Complexity | 867.5003 |
Chemical Identifiers
| CAS Number | 65594-96-9 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C[C@@H](C(=O)O)N2C(=O)C3=CC=CC=C3C2=O |
Product Overview
(S)-3-(4-Acetoxyphenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoic acid (CAS 65594-96-9), with molecular formula C19H15NO6 and molecular weight 353.09 g/mol. IUPAC: (2S)-3-(4-acetyloxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanoic acid.
Chemical Property Profile of (S)-3-(4-Acetoxyphenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoic acid
Property Insights of (S)-3-(4-Acetoxyphenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoic acid
The XLogP value of 1.9038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-(4-Acetoxyphenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoic acid. The TPSA of 100.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-(4-Acetoxyphenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoic acid. Following Lipinski's Rule of Five, (S)-3-(4-Acetoxyphenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoic acid 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)-3-(4-Acetoxyphenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoic acid?
The CAS number of (S)-3-(4-Acetoxyphenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoic acid is 65594-96-9.
What is the molecular formula of (S)-3-(4-Acetoxyphenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoic acid?
The molecular formula of (S)-3-(4-Acetoxyphenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoic acid is C19H15NO6.
What is the molecular weight of (S)-3-(4-Acetoxyphenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoic acid?
The molecular weight of (S)-3-(4-Acetoxyphenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoic acid is 353.09 g/mol.
Where can I buy (S)-3-(4-Acetoxyphenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoic acid?
You can request a quote for (S)-3-(4-Acetoxyphenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-(4-Acetoxyphenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-(4-Acetoxyphenyl)-2-(1,3-dioxoisoindolin-2-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.