3-Ethoxy-1H-isoindole
TL;DR: 3-Ethoxy-1H-isoindole (CAS 49619-49-0) is a chemical compound with molecular formula C10H11NO and molecular weight 161.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-1H-isoindole
Also Known As: 3-Ethoxy-1H-isoindole, 1H-Isoindole, 3-ethoxy-, 3-Aethoxy-1H-isoindol, 3-Ethoxy-1H-isoindole #
| Molecular Formula | C10H11NO |
|---|---|
| Molecular Weight | 161.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 161.08406 |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 49619-49-0 |
|---|---|
| SMILES | CCOC1=NCC2=CC=CC=C21 |
| InChIKey | RSSQOCHQZAYJLZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethoxy-1H-isoindole (CAS 49619-49-0), with molecular formula C10H11NO and molecular weight 161.08 g/mol. IUPAC: 3-ethoxy-1H-isoindole.
Chemical Property Profile of 3-Ethoxy-1H-isoindole
Property Insights of 3-Ethoxy-1H-isoindole
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethoxy-1H-isoindole. With a topological polar surface area (TPSA) of 21.6 Ų, 3-Ethoxy-1H-isoindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethoxy-1H-isoindole has 0 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 3-Ethoxy-1H-isoindole?
The CAS number of 3-Ethoxy-1H-isoindole is 49619-49-0.
What is the molecular formula of 3-Ethoxy-1H-isoindole?
The molecular formula of 3-Ethoxy-1H-isoindole is C10H11NO.
What is the molecular weight of 3-Ethoxy-1H-isoindole?
The molecular weight of 3-Ethoxy-1H-isoindole is 161.08 g/mol.
Where can I buy 3-Ethoxy-1H-isoindole?
You can request a quote for 3-Ethoxy-1H-isoindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethoxy-1H-isoindole?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxy-1H-isoindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.