2-(3-Oxobutyl)isoindoline-1,3-dione
TL;DR: 2-(3-Oxobutyl)isoindoline-1,3-dione (CAS 38090-96-9) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-oxobutyl)isoindole-1,3-dione
Also Known As: N-(3-Oxobutyl)phthalimide, 2-(3-OXOBUTYL)ISOINDOLINE-1,3-DIONE, 2-(3-oxobutyl)isoindole-1,3-dione, 2-(3-oxobutyl)-1h-isoindole-1,3(2h)-dione, 4-Phthalimidobutan-2-one
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 38090-96-9 |
|---|---|
| SMILES | CC(=O)CCN1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | ONTXCMXICQNNNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-Oxobutyl)isoindoline-1,3-dione (CAS 38090-96-9), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: 2-(3-oxobutyl)isoindole-1,3-dione.
Chemical Property Profile of 2-(3-Oxobutyl)isoindoline-1,3-dione
Property Insights of 2-(3-Oxobutyl)isoindoline-1,3-dione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Oxobutyl)isoindoline-1,3-dione. With a topological polar surface area (TPSA) of 54.5 Ų, 2-(3-Oxobutyl)isoindoline-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Oxobutyl)isoindoline-1,3-dione 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-(3-Oxobutyl)isoindoline-1,3-dione?
The CAS number of 2-(3-Oxobutyl)isoindoline-1,3-dione is 38090-96-9.
What is the molecular formula of 2-(3-Oxobutyl)isoindoline-1,3-dione?
The molecular formula of 2-(3-Oxobutyl)isoindoline-1,3-dione is C12H11NO3.
What is the molecular weight of 2-(3-Oxobutyl)isoindoline-1,3-dione?
The molecular weight of 2-(3-Oxobutyl)isoindoline-1,3-dione is 217.07 g/mol.
Where can I buy 2-(3-Oxobutyl)isoindoline-1,3-dione?
You can request a quote for 2-(3-Oxobutyl)isoindoline-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Oxobutyl)isoindoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Oxobutyl)isoindoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.