Propyl 2-(1,3-dioxoisoindolin-2-yl)acetate
TL;DR: Propyl 2-(1,3-dioxoisoindolin-2-yl)acetate (CAS 40531-88-2) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-(1,3-dioxoisoindol-2-yl)acetate
Also Known As: Propyl 2-(1,3-dioxoisoindolin-2-yl)acetate, propyl 2-(1,3-dioxoisoindol-2-yl)acetate, BAS 00442167, J1.094.903C, (1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid propyl ester
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 40531-88-2 |
|---|---|
| SMILES | CCCOC(=O)CN1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | GOGCRSPYAVSORZ-UHFFFAOYSA-N |
Product Overview
Propyl 2-(1,3-dioxoisoindolin-2-yl)acetate (CAS 40531-88-2), with molecular formula C13H13NO4 and molecular weight 247.08 g/mol. IUPAC: propyl 2-(1,3-dioxoisoindol-2-yl)acetate.
Chemical Property Profile of Propyl 2-(1,3-dioxoisoindolin-2-yl)acetate
Property Insights of Propyl 2-(1,3-dioxoisoindolin-2-yl)acetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 2-(1,3-dioxoisoindolin-2-yl)acetate. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl 2-(1,3-dioxoisoindolin-2-yl)acetate. Following Lipinski's Rule of Five, Propyl 2-(1,3-dioxoisoindolin-2-yl)acetate has 0 hydrogen bond donor(s) and 4 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 Propyl 2-(1,3-dioxoisoindolin-2-yl)acetate?
The CAS number of Propyl 2-(1,3-dioxoisoindolin-2-yl)acetate is 40531-88-2.
What is the molecular formula of Propyl 2-(1,3-dioxoisoindolin-2-yl)acetate?
The molecular formula of Propyl 2-(1,3-dioxoisoindolin-2-yl)acetate is C13H13NO4.
What is the molecular weight of Propyl 2-(1,3-dioxoisoindolin-2-yl)acetate?
The molecular weight of Propyl 2-(1,3-dioxoisoindolin-2-yl)acetate is 247.08 g/mol.
Where can I buy Propyl 2-(1,3-dioxoisoindolin-2-yl)acetate?
You can request a quote for Propyl 2-(1,3-dioxoisoindolin-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 2-(1,3-dioxoisoindolin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2-(1,3-dioxoisoindolin-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.