2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanal
TL;DR: 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanal (CAS 17239-52-0) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxoisoindol-2-yl)-3-methylbutanal
Also Known As: alpha-Phthalimido-beta-methylbutyraldehyde, 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanal, A-Phthalimido-, A-methylbutyraldehyd, 3-methyl-2-phthalimido-butyraldehyde
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 17239-52-0 |
|---|---|
| SMILES | CC(C)C(C=O)N1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | BERZBIGQXSVCBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanal (CAS 17239-52-0), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanal.
Chemical Property Profile of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanal
Property Insights of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanal
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanal. With a topological polar surface area (TPSA) of 54.5 Ų, 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanal 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 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanal?
The CAS number of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanal is 17239-52-0.
What is the molecular formula of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanal?
The molecular formula of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanal is C13H13NO3.
What is the molecular weight of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanal?
The molecular weight of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanal is 231.09 g/mol.
Where can I buy 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanal?
You can request a quote for 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanal?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.