3-Amino-6-methoxyisoindol-1-one
TL;DR: 3-Amino-6-methoxyisoindol-1-one (CAS 127511-04-0) is a chemical compound with molecular formula C9H8N2O2 and molecular weight 176.05858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-6-methoxyisoindol-1-one
Also Known As: 3-imino-6-methoxy-isoindolin-1-one, 3-amino-6-methoxy-isoindol-1-one
Technical Specifications
| Molecular Formula | C9H8N2O2 |
| Molecular Weight | 176.05858 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 64.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.05858 Da |
| Heavy Atoms | 13 |
| Complexity | 262.0 |
| SMILES | COC1=CC2=C(C=C1)C(=NC2=O)N |
| InChIKey | AYSYFLHEZBKBHJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-Amino-6-methoxyisoindol-1-one
Property Insights of 3-Amino-6-methoxyisoindol-1-one
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-6-methoxyisoindol-1-one. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-6-methoxyisoindol-1-one. Following Lipinski's Rule of Five, 3-Amino-6-methoxyisoindol-1-one 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
What is the CAS number of 3-Amino-6-methoxyisoindol-1-one?
The CAS number of 3-Amino-6-methoxyisoindol-1-one is 127511-04-0.
What is the molecular formula of 3-Amino-6-methoxyisoindol-1-one?
The molecular formula of 3-Amino-6-methoxyisoindol-1-one is C9H8N2O2.
What is the molecular weight of 3-Amino-6-methoxyisoindol-1-one?
The molecular weight of 3-Amino-6-methoxyisoindol-1-one is 176.05858 g/mol.
Where can I buy 3-Amino-6-methoxyisoindol-1-one?
You can request a quote for 3-Amino-6-methoxyisoindol-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Amino-6-methoxyisoindol-1-one?
Yes, CoreyChem provides custom synthesis services for 3-Amino-6-methoxyisoindol-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.