3-(1-Oxoisoindolin-2-yl)phenyl acrylate
TL;DR: 3-(1-Oxoisoindolin-2-yl)phenyl acrylate (CAS 321945-66-8) is a chemical compound with molecular formula C17H13NO3 and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3-oxo-1H-isoindol-2-yl)phenyl] prop-2-enoate
Also Known As: 3-(1-oxoisoindolin-2-yl)phenyl acrylate, 3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)phenyl prop-2-enoate, [3-(3-oxo-1H-isoindol-2-yl)phenyl] prop-2-enoate, F0827-0264, ACRYLIC ACID 3-(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PHENYL ESTER
| Molecular Formula | C17H13NO3 |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 2.9384 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.08954 |
| Heavy Atoms | 21 |
| Complexity | 736.32 |
Chemical Identifiers
| CAS Number | 321945-66-8 |
|---|---|
| SMILES | C=CC(=O)OC1=CC=CC(=C1)N2CC3=CC=CC=C3C2=O |
Product Overview
3-(1-Oxoisoindolin-2-yl)phenyl acrylate (CAS 321945-66-8), with molecular formula C17H13NO3 and molecular weight 279.09 g/mol. IUPAC: [3-(3-oxo-1H-isoindol-2-yl)phenyl] prop-2-enoate.
Chemical Property Profile of 3-(1-Oxoisoindolin-2-yl)phenyl acrylate
Property Insights of 3-(1-Oxoisoindolin-2-yl)phenyl acrylate
The XLogP value of 2.9384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Oxoisoindolin-2-yl)phenyl acrylate. With a topological polar surface area (TPSA) of 46.61 Ų, 3-(1-Oxoisoindolin-2-yl)phenyl acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Oxoisoindolin-2-yl)phenyl acrylate has 0 hydrogen bond donor(s) and 3 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 3-(1-Oxoisoindolin-2-yl)phenyl acrylate?
The CAS number of 3-(1-Oxoisoindolin-2-yl)phenyl acrylate is 321945-66-8.
What is the molecular formula of 3-(1-Oxoisoindolin-2-yl)phenyl acrylate?
The molecular formula of 3-(1-Oxoisoindolin-2-yl)phenyl acrylate is C17H13NO3.
What is the molecular weight of 3-(1-Oxoisoindolin-2-yl)phenyl acrylate?
The molecular weight of 3-(1-Oxoisoindolin-2-yl)phenyl acrylate is 279.09 g/mol.
Where can I buy 3-(1-Oxoisoindolin-2-yl)phenyl acrylate?
You can request a quote for 3-(1-Oxoisoindolin-2-yl)phenyl acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Oxoisoindolin-2-yl)phenyl acrylate?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Oxoisoindolin-2-yl)phenyl acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.