4-(azepan-1-ylmethyl)-6-hydroxy-7-phenyl-2H-chromen-2-one
TL;DR: 4-(azepan-1-ylmethyl)-6-hydroxy-7-phenyl-2H-chromen-2-one (CAS 859115-71-2) is a chemical compound with molecular formula C22H23NO3 and molecular weight 349.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(azepan-1-ylmethyl)-6-hydroxy-7-phenylchromen-2-one
Also Known As: 4-(azepan-1-ylmethyl)-6-hydroxy-7-phenyl-2H-chromen-2-one, 4-(azepan-1-ylmethyl)-6-hydroxy-7-phenylchromen-2-one, 4-(azepan-1-ylmethyl)-6-hydroxy-7-phenyl-chromen-2-one, 4-(azaperhydroepinylmethyl)-6-hydroxy-7-phenylchromen-2-one
| Molecular Formula | C22H23NO3 |
|---|---|
| Molecular Weight | 349.17 g/mol |
| LogP | 4.5416 |
| Topological Polar Surface Area | 53.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.1678 |
| Heavy Atoms | 26 |
| Complexity | 954.27844 |
Chemical Identifiers
| CAS Number | 859115-71-2 |
|---|---|
| SMILES | C1CCCN(CC1)CC2=CC(=O)OC3=CC(=C(C=C23)O)C4=CC=CC=C4 |
Product Overview
4-(azepan-1-ylmethyl)-6-hydroxy-7-phenyl-2H-chromen-2-one (CAS 859115-71-2), with molecular formula C22H23NO3 and molecular weight 349.17 g/mol. IUPAC: 4-(azepan-1-ylmethyl)-6-hydroxy-7-phenylchromen-2-one.
Chemical Property Profile of 4-(azepan-1-ylmethyl)-6-hydroxy-7-phenyl-2H-chromen-2-one
Property Insights of 4-(azepan-1-ylmethyl)-6-hydroxy-7-phenyl-2H-chromen-2-one
The XLogP value of 4.5416 indicates that 4-(azepan-1-ylmethyl)-6-hydroxy-7-phenyl-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 53.68 Ų, 4-(azepan-1-ylmethyl)-6-hydroxy-7-phenyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(azepan-1-ylmethyl)-6-hydroxy-7-phenyl-2H-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
Frequently Asked Questions
What is the CAS number of 4-(azepan-1-ylmethyl)-6-hydroxy-7-phenyl-2H-chromen-2-one?
The CAS number of 4-(azepan-1-ylmethyl)-6-hydroxy-7-phenyl-2H-chromen-2-one is 859115-71-2.
What is the molecular formula of 4-(azepan-1-ylmethyl)-6-hydroxy-7-phenyl-2H-chromen-2-one?
The molecular formula of 4-(azepan-1-ylmethyl)-6-hydroxy-7-phenyl-2H-chromen-2-one is C22H23NO3.
What is the molecular weight of 4-(azepan-1-ylmethyl)-6-hydroxy-7-phenyl-2H-chromen-2-one?
The molecular weight of 4-(azepan-1-ylmethyl)-6-hydroxy-7-phenyl-2H-chromen-2-one is 349.17 g/mol.
Where can I buy 4-(azepan-1-ylmethyl)-6-hydroxy-7-phenyl-2H-chromen-2-one?
You can request a quote for 4-(azepan-1-ylmethyl)-6-hydroxy-7-phenyl-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)-6-hydroxy-7-phenyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(azepan-1-ylmethyl)-6-hydroxy-7-phenyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.