4-(azepan-1-ylmethyl)-7-methyl-2H-chromen-2-one
TL;DR: 4-(azepan-1-ylmethyl)-7-methyl-2H-chromen-2-one (CAS 845651-57-2) is a chemical compound with molecular formula C17H21NO2 and molecular weight 271.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(azepan-1-ylmethyl)-7-methylchromen-2-one
Also Known As: 4-(azepan-1-ylmethyl)-7-methyl-2H-chromen-2-one, 4-(azepan-1-ylmethyl)-7-methylchromen-2-one, 4-azepan-1-ylmethyl-7-methylchromen-2-one, 4-[(azepan-1-yl)methyl]-7-methyl-2H-chromen-2-one, 4-(azepan-1-ylmethyl)-7-methyl-chromen-2-one
| Molecular Formula | C17H21NO2 |
|---|---|
| Molecular Weight | 271.16 g/mol |
| LogP | 3.47742 |
| Topological Polar Surface Area | 33.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.15723 |
| Heavy Atoms | 20 |
| Complexity | 651.5779 |
Chemical Identifiers
| CAS Number | 845651-57-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCCCCC3 |
Product Overview
4-(azepan-1-ylmethyl)-7-methyl-2H-chromen-2-one (CAS 845651-57-2), with molecular formula C17H21NO2 and molecular weight 271.16 g/mol. IUPAC: 4-(azepan-1-ylmethyl)-7-methylchromen-2-one.
Chemical Property Profile of 4-(azepan-1-ylmethyl)-7-methyl-2H-chromen-2-one
Property Insights of 4-(azepan-1-ylmethyl)-7-methyl-2H-chromen-2-one
The XLogP value of 3.47742 indicates that 4-(azepan-1-ylmethyl)-7-methyl-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.45 Ų, 4-(azepan-1-ylmethyl)-7-methyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(azepan-1-ylmethyl)-7-methyl-2H-chromen-2-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(azepan-1-ylmethyl)-7-methyl-2H-chromen-2-one?
The CAS number of 4-(azepan-1-ylmethyl)-7-methyl-2H-chromen-2-one is 845651-57-2.
What is the molecular formula of 4-(azepan-1-ylmethyl)-7-methyl-2H-chromen-2-one?
The molecular formula of 4-(azepan-1-ylmethyl)-7-methyl-2H-chromen-2-one is C17H21NO2.
What is the molecular weight of 4-(azepan-1-ylmethyl)-7-methyl-2H-chromen-2-one?
The molecular weight of 4-(azepan-1-ylmethyl)-7-methyl-2H-chromen-2-one is 271.16 g/mol.
Where can I buy 4-(azepan-1-ylmethyl)-7-methyl-2H-chromen-2-one?
You can request a quote for 4-(azepan-1-ylmethyl)-7-methyl-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(azepan-1-ylmethyl)-7-methyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(azepan-1-ylmethyl)-7-methyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.