3-amino-2-(3,4-dimethoxyphenyl)-1H-inden-1-one
TL;DR: 3-amino-2-(3,4-dimethoxyphenyl)-1H-inden-1-one (CAS 1022886-26-5) is a chemical compound with molecular formula C17H15NO3 and molecular weight 281.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-2-(3,4-dimethoxyphenyl)inden-1-one
Also Known As: 3-amino-2-(3,4-dimethoxyphenyl)-1H-inden-1-one, 3-amino-2-(3,4-dimethoxyphenyl)inden-1-one
Technical Specifications
| Molecular Formula | C17H15NO3 |
| Molecular Weight | 281.1052 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.1052 Da |
| Heavy Atoms | 21 |
| Complexity | 445.0 |
| SMILES | COC1=C(C=C(C=C1)C2=C(C3=CC=CC=C3C2=O)N)OC |
| InChIKey | VDJSBWQHTJMGPC-UHFFFAOYSA-N |
Chemical Property Profile of 3-amino-2-(3,4-dimethoxyphenyl)-1H-inden-1-one
Property Insights of 3-amino-2-(3,4-dimethoxyphenyl)-1H-inden-1-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-2-(3,4-dimethoxyphenyl)-1H-inden-1-one. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-2-(3,4-dimethoxyphenyl)-1H-inden-1-one. Following Lipinski's Rule of Five, 3-amino-2-(3,4-dimethoxyphenyl)-1H-inden-1-one has 1 hydrogen bond donor(s) and 4 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-2-(3,4-dimethoxyphenyl)-1H-inden-1-one?
The CAS number of 3-amino-2-(3,4-dimethoxyphenyl)-1H-inden-1-one is 1022886-26-5.
What is the molecular formula of 3-amino-2-(3,4-dimethoxyphenyl)-1H-inden-1-one?
The molecular formula of 3-amino-2-(3,4-dimethoxyphenyl)-1H-inden-1-one is C17H15NO3.
What is the molecular weight of 3-amino-2-(3,4-dimethoxyphenyl)-1H-inden-1-one?
The molecular weight of 3-amino-2-(3,4-dimethoxyphenyl)-1H-inden-1-one is 281.1052 g/mol.
Where can I buy 3-amino-2-(3,4-dimethoxyphenyl)-1H-inden-1-one?
You can request a quote for 3-amino-2-(3,4-dimethoxyphenyl)-1H-inden-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-amino-2-(3,4-dimethoxyphenyl)-1H-inden-1-one?
Yes, CoreyChem provides custom synthesis services for 3-amino-2-(3,4-dimethoxyphenyl)-1H-inden-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.