2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one
TL;DR: 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one (CAS 167869-21-8) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-amino-3-methoxyphenyl)chromen-4-one
Also Known As: PD 98059, 2-(2-amino-3-methoxyphenyl)-4H-chromen-4-one, 2-(2-amino-3-methoxyphenyl)chromen-4-one, 2-(2-Amino-3-methoxyphenyl)-4H-1-benzopyran-4-one, PD 98,059
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H13NO3 |
| Molecular Weight | 267.08954 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.08954 Da |
| Heavy Atoms | 20 |
| Complexity | 407.0 |
| SMILES | COC1=CC=CC(=C1N)C2=CC(=O)C3=CC=CC=C3O2 |
| InChIKey | QFWCYNPOPKQOKV-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one
Property Insights of 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one. Following Lipinski's Rule of Five, 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-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 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one?
The CAS number of 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one is 167869-21-8.
What is the molecular formula of 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one?
The molecular formula of 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one is C16H13NO3.
What is the molecular weight of 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one?
The molecular weight of 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one is 267.08954 g/mol.
Where can I buy 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one?
You can request a quote for 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one?
Yes, CoreyChem provides custom synthesis services for 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.