1H-Isoindole, 3-ethoxy-4,7-dimethyl-
TL;DR: 1H-Isoindole, 3-ethoxy-4,7-dimethyl- (CAS 100813-61-4) is a chemical compound with molecular formula C12H15NO and molecular weight 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-4,7-dimethyl-1H-isoindole
Also Known As: 3-Ethoxy-4,7-dimethyl-1H-isoindole, 1H-Isoindole, 3-ethoxy-4,7-dimethyl-, 3-Ethoxy-4,7-dimethyl-1H-isoindole #
| Molecular Formula | C12H15NO |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.11537 |
| Heavy Atoms | 14 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 100813-61-4 |
|---|---|
| SMILES | CCOC1=NCC2=C(C=CC(=C21)C)C |
| InChIKey | CWIRPOQIQWOOQH-UHFFFAOYSA-N |
Product Overview
1H-Isoindole, 3-ethoxy-4,7-dimethyl- (CAS 100813-61-4), with molecular formula C12H15NO and molecular weight 189.12 g/mol. IUPAC: 3-ethoxy-4,7-dimethyl-1H-isoindole.
Chemical Property Profile of 1H-Isoindole, 3-ethoxy-4,7-dimethyl-
Property Insights of 1H-Isoindole, 3-ethoxy-4,7-dimethyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Isoindole, 3-ethoxy-4,7-dimethyl-. With a topological polar surface area (TPSA) of 21.6 Ų, 1H-Isoindole, 3-ethoxy-4,7-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Isoindole, 3-ethoxy-4,7-dimethyl- 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 1H-Isoindole, 3-ethoxy-4,7-dimethyl-?
The CAS number of 1H-Isoindole, 3-ethoxy-4,7-dimethyl- is 100813-61-4.
What is the molecular formula of 1H-Isoindole, 3-ethoxy-4,7-dimethyl-?
The molecular formula of 1H-Isoindole, 3-ethoxy-4,7-dimethyl- is C12H15NO.
What is the molecular weight of 1H-Isoindole, 3-ethoxy-4,7-dimethyl-?
The molecular weight of 1H-Isoindole, 3-ethoxy-4,7-dimethyl- is 189.12 g/mol.
Where can I buy 1H-Isoindole, 3-ethoxy-4,7-dimethyl-?
You can request a quote for 1H-Isoindole, 3-ethoxy-4,7-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Isoindole, 3-ethoxy-4,7-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Isoindole, 3-ethoxy-4,7-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.