4-(Aminomethyl)-6,7-dimethoxycoumarin
TL;DR: 4-(Aminomethyl)-6,7-dimethoxycoumarin (CAS 123891-64-5) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(aminomethyl)-6,7-dimethoxychromen-2-one
Also Known As: 4-(Aminomethyl)-6,7-dimethoxycoumarin, 4-(aminomethyl)-6,7-dimethoxy-2H-chromen-2-one, 4-(aminomethyl)-6,7-dimethoxychromen-2-one, 2H-1-Benzopyran-2-one, 4-(aminomethyl)-6,7-dimethoxy-, 4-(aminomethyl)-6,7-dimethoxy-chromen-2-one
Technical Specifications
| Molecular Formula | C12H13NO4 |
| Molecular Weight | 235.08446 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 70.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.08446 Da |
| Heavy Atoms | 17 |
| Complexity | 328.0 |
| SMILES | COC1=C(C=C2C(=C1)C(=CC(=O)O2)CN)OC |
| InChIKey | AXXVGQYUBHDGBK-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Aminomethyl)-6,7-dimethoxycoumarin
Property Insights of 4-(Aminomethyl)-6,7-dimethoxycoumarin
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Aminomethyl)-6,7-dimethoxycoumarin. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Aminomethyl)-6,7-dimethoxycoumarin. Following Lipinski's Rule of Five, 4-(Aminomethyl)-6,7-dimethoxycoumarin has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(Aminomethyl)-6,7-dimethoxycoumarin?
The CAS number of 4-(Aminomethyl)-6,7-dimethoxycoumarin is 123891-64-5.
What is the molecular formula of 4-(Aminomethyl)-6,7-dimethoxycoumarin?
The molecular formula of 4-(Aminomethyl)-6,7-dimethoxycoumarin is C12H13NO4.
What is the molecular weight of 4-(Aminomethyl)-6,7-dimethoxycoumarin?
The molecular weight of 4-(Aminomethyl)-6,7-dimethoxycoumarin is 235.08446 g/mol.
Where can I buy 4-(Aminomethyl)-6,7-dimethoxycoumarin?
You can request a quote for 4-(Aminomethyl)-6,7-dimethoxycoumarin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Aminomethyl)-6,7-dimethoxycoumarin?
Yes, CoreyChem provides custom synthesis services for 4-(Aminomethyl)-6,7-dimethoxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.