2-Isopropylisoindoline
TL;DR: 2-Isopropylisoindoline (CAS 117135-91-8) is a chemical compound with molecular formula C11H15N and molecular weight 161.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-yl-1,3-dihydroisoindole
Also Known As: 2-isopropylisoindoline, 2-propan-2-yl-1,3-dihydroisoindole, 2-(propan-2-yl)-2,3-dihydro-1h-isoindole, 2-Isopropyl-1,3-dihydro-2H-isoindole, J2.717.083H
| Molecular Formula | C11H15N |
|---|---|
| Molecular Weight | 161.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.12045 |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 117135-91-8 |
|---|---|
| SMILES | CC(C)N1CC2=CC=CC=C2C1 |
| InChIKey | CASMFKWYZWCAOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Isopropylisoindoline (CAS 117135-91-8), with molecular formula C11H15N and molecular weight 161.12 g/mol. IUPAC: 2-propan-2-yl-1,3-dihydroisoindole.
Chemical Property Profile of 2-Isopropylisoindoline
Property Insights of 2-Isopropylisoindoline
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isopropylisoindoline. With a topological polar surface area (TPSA) of 3.2 Ų, 2-Isopropylisoindoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropylisoindoline has 0 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 2-Isopropylisoindoline?
The CAS number of 2-Isopropylisoindoline is 117135-91-8.
What is the molecular formula of 2-Isopropylisoindoline?
The molecular formula of 2-Isopropylisoindoline is C11H15N.
What is the molecular weight of 2-Isopropylisoindoline?
The molecular weight of 2-Isopropylisoindoline is 161.12 g/mol.
Where can I buy 2-Isopropylisoindoline?
You can request a quote for 2-Isopropylisoindoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropylisoindoline?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropylisoindoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.