4-Amino-3-(azepan-1-ylmethyl)chromen-2-one
TL;DR: 4-Amino-3-(azepan-1-ylmethyl)chromen-2-one (CAS 167866-53-7) is a chemical compound with molecular formula C16H20N2O2 and molecular weight 272.15247 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-3-(azepan-1-ylmethyl)chromen-2-one
Also Known As: 4-amino-3-(azepan-1-ylmethyl)chromen-2-one, 4-amino-3-[(azepan-1-yl)methyl]-2H-chromen-2-one, 4-Amino-3-[(hexahydro-1H-azepin)-1-ylmethyl]-2H-1-benzopyran-2-one, 2H-1-Benzopyran-2-one, 4-amino-3-[(hexahydro-1H-azepin-1-yl)methyl]- (en)
Technical Specifications
| Molecular Formula | C16H20N2O2 |
| Molecular Weight | 272.15247 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.15247 Da |
| Heavy Atoms | 20 |
| Complexity | 397.0 |
| SMILES | C1CCCN(CC1)CC2=C(C3=CC=CC=C3OC2=O)N |
| InChIKey | XGOYMBAATJGHCG-UHFFFAOYSA-N |
Chemical Property Profile of 4-Amino-3-(azepan-1-ylmethyl)chromen-2-one
Property Insights of 4-Amino-3-(azepan-1-ylmethyl)chromen-2-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3-(azepan-1-ylmethyl)chromen-2-one. With a topological polar surface area (TPSA) of 55.6 Ų, 4-Amino-3-(azepan-1-ylmethyl)chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-3-(azepan-1-ylmethyl)chromen-2-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 4-Amino-3-(azepan-1-ylmethyl)chromen-2-one?
The CAS number of 4-Amino-3-(azepan-1-ylmethyl)chromen-2-one is 167866-53-7.
What is the molecular formula of 4-Amino-3-(azepan-1-ylmethyl)chromen-2-one?
The molecular formula of 4-Amino-3-(azepan-1-ylmethyl)chromen-2-one is C16H20N2O2.
What is the molecular weight of 4-Amino-3-(azepan-1-ylmethyl)chromen-2-one?
The molecular weight of 4-Amino-3-(azepan-1-ylmethyl)chromen-2-one is 272.15247 g/mol.
Where can I buy 4-Amino-3-(azepan-1-ylmethyl)chromen-2-one?
You can request a quote for 4-Amino-3-(azepan-1-ylmethyl)chromen-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Amino-3-(azepan-1-ylmethyl)chromen-2-one?
Yes, CoreyChem provides custom synthesis services for 4-Amino-3-(azepan-1-ylmethyl)chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.