5-(tert-Butyl)isoindoline-1,3-dione
TL;DR: 5-(tert-Butyl)isoindoline-1,3-dione (CAS 50727-07-6) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butylisoindole-1,3-dione
Also Known As: 5-(tert-Butyl)isoindoline-1,3-dione, 4-t-butylphthalimide, 5-tert-butylisoindoline-1,3-dione, 5-(tert-Butyl)phthalimide, 4-t-butyl-phthalimide
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 50727-07-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)C(=O)NC2=O |
| InChIKey | MQAXXSNRKXXVON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(tert-Butyl)isoindoline-1,3-dione (CAS 50727-07-6), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 5-tert-butylisoindole-1,3-dione.
Chemical Property Profile of 5-(tert-Butyl)isoindoline-1,3-dione
Property Insights of 5-(tert-Butyl)isoindoline-1,3-dione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(tert-Butyl)isoindoline-1,3-dione. With a topological polar surface area (TPSA) of 46.2 Ų, 5-(tert-Butyl)isoindoline-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(tert-Butyl)isoindoline-1,3-dione has 1 hydrogen bond donor(s) and 2 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 5-(tert-Butyl)isoindoline-1,3-dione?
The CAS number of 5-(tert-Butyl)isoindoline-1,3-dione is 50727-07-6.
What is the molecular formula of 5-(tert-Butyl)isoindoline-1,3-dione?
The molecular formula of 5-(tert-Butyl)isoindoline-1,3-dione is C12H13NO2.
What is the molecular weight of 5-(tert-Butyl)isoindoline-1,3-dione?
The molecular weight of 5-(tert-Butyl)isoindoline-1,3-dione is 203.09 g/mol.
Where can I buy 5-(tert-Butyl)isoindoline-1,3-dione?
You can request a quote for 5-(tert-Butyl)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 5-(tert-Butyl)isoindoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(tert-Butyl)isoindoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.