8-(azepan-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-7-hydroxy-2H-chromen-2-one
TL;DR: 8-(azepan-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-7-hydroxy-2H-chromen-2-one (CAS 864819-08-9) is a chemical compound with molecular formula C24H27NO5 and molecular weight 409.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(azepan-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-7-hydroxychromen-2-one
Also Known As: 8-(azepan-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-7-hydroxy-2H-chromen-2-one, 8-(azepan-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-7-hydroxy-chromen-2-one, 8-(azepan-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-7-hydroxychromen-2-one, 8-(azepan-1-ium-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-olate [M+H]+
| Molecular Formula | C24H27NO5 |
|---|---|
| Molecular Weight | 409.19 g/mol |
| LogP | 4.5588 |
| Topological Polar Surface Area | 72.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.18893 |
| Heavy Atoms | 30 |
| Complexity | 1096.682 |
Chemical Identifiers
| CAS Number | 864819-08-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C2=CC3=C(C(=C(C=C3)O)CN4CCCCCC4)OC2=O)OC |
Product Overview
8-(azepan-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-7-hydroxy-2H-chromen-2-one (CAS 864819-08-9), with molecular formula C24H27NO5 and molecular weight 409.19 g/mol. IUPAC: 8-(azepan-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-7-hydroxychromen-2-one.
Chemical Property Profile of 8-(azepan-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-7-hydroxy-2H-chromen-2-one
Property Insights of 8-(azepan-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-7-hydroxy-2H-chromen-2-one
The XLogP value of 4.5588 indicates that 8-(azepan-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-7-hydroxy-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(azepan-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-7-hydroxy-2H-chromen-2-one. Following Lipinski's Rule of Five, 8-(azepan-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-7-hydroxy-2H-chromen-2-one has 1 hydrogen bond donor(s) and 6 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 8-(azepan-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-7-hydroxy-2H-chromen-2-one?
The CAS number of 8-(azepan-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-7-hydroxy-2H-chromen-2-one is 864819-08-9.
What is the molecular formula of 8-(azepan-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-7-hydroxy-2H-chromen-2-one?
The molecular formula of 8-(azepan-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-7-hydroxy-2H-chromen-2-one is C24H27NO5.
What is the molecular weight of 8-(azepan-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-7-hydroxy-2H-chromen-2-one?
The molecular weight of 8-(azepan-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-7-hydroxy-2H-chromen-2-one is 409.19 g/mol.
Where can I buy 8-(azepan-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-7-hydroxy-2H-chromen-2-one?
You can request a quote for 8-(azepan-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-7-hydroxy-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 8-(azepan-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-7-hydroxy-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 8-(azepan-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-7-hydroxy-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.