5-tert-Butyl-1,3-diiminoisoindoline
TL;DR: 5-tert-Butyl-1,3-diiminoisoindoline (CAS 52319-97-8) is a chemical compound with molecular formula C12H15N3 and molecular weight 201.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-3-iminoisoindol-1-amine
Also Known As: 5-tert-Butyl-1,3-diiminoisoindoline, 5-tert-butyl-3-iminoisoindol-1-amine, 5-(tert-Butyl)isoindoline-1,3-diimine, 5-t-butyl-1,3-diiminoisoindoline, 5-tert-butylisoindoline-1,3-diimine
| Molecular Formula | C12H15N3 |
|---|---|
| Molecular Weight | 201.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.1266 |
| Heavy Atoms | 15 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 52319-97-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)C(=NC2=N)N |
| InChIKey | QFTATDRGOXHSPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-tert-Butyl-1,3-diiminoisoindoline (CAS 52319-97-8), with molecular formula C12H15N3 and molecular weight 201.13 g/mol. IUPAC: 5-tert-butyl-3-iminoisoindol-1-amine.
Chemical Property Profile of 5-tert-Butyl-1,3-diiminoisoindoline
Property Insights of 5-tert-Butyl-1,3-diiminoisoindoline
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-tert-Butyl-1,3-diiminoisoindoline. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-tert-Butyl-1,3-diiminoisoindoline. Following Lipinski's Rule of Five, 5-tert-Butyl-1,3-diiminoisoindoline has 2 hydrogen bond donor(s) and 1 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-1,3-diiminoisoindoline?
The CAS number of 5-tert-Butyl-1,3-diiminoisoindoline is 52319-97-8.
What is the molecular formula of 5-tert-Butyl-1,3-diiminoisoindoline?
The molecular formula of 5-tert-Butyl-1,3-diiminoisoindoline is C12H15N3.
What is the molecular weight of 5-tert-Butyl-1,3-diiminoisoindoline?
The molecular weight of 5-tert-Butyl-1,3-diiminoisoindoline is 201.13 g/mol.
Where can I buy 5-tert-Butyl-1,3-diiminoisoindoline?
You can request a quote for 5-tert-Butyl-1,3-diiminoisoindoline 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-1,3-diiminoisoindoline?
Yes, KEHONG BIO provides custom synthesis services for 5-tert-Butyl-1,3-diiminoisoindoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.