8-(azepan-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-2H-chromen-2-one
TL;DR: 8-(azepan-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-2H-chromen-2-one (CAS 869340-82-9) is a chemical compound with molecular formula C25H29NO5 and molecular weight 423.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(azepan-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methylchromen-2-one
Also Known As: 8-(azepan-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-2H-chromen-2-one, 8-(azaperhydroepinylmethyl)-3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methylchromen- 2-one, 8-(azepan-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-chromen-2-one, 8-(azepan-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methylchromen-2-one, 8-[(AZEPAN-1-YL)METHYL]-3-(3,4-DIMETHOXYPHENYL)-7-HYDROXY-4-METHYL-2H-CHROMEN-2-ONE
| Molecular Formula | C25H29NO5 |
|---|---|
| Molecular Weight | 423.20 g/mol |
| LogP | 4.86722 |
| Topological Polar Surface Area | 72.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.20456 |
| Heavy Atoms | 31 |
| Complexity | 1142.838 |
Chemical Identifiers
| CAS Number | 869340-82-9 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2CN3CCCCCC3)O)C4=CC(=C(C=C4)OC)OC |
Product Overview
8-(azepan-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-2H-chromen-2-one (CAS 869340-82-9), with molecular formula C25H29NO5 and molecular weight 423.20 g/mol. IUPAC: 8-(azepan-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methylchromen-2-one.
Chemical Property Profile of 8-(azepan-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-2H-chromen-2-one
Property Insights of 8-(azepan-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-2H-chromen-2-one
The XLogP value of 4.86722 indicates that 8-(azepan-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-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-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-2H-chromen-2-one. Following Lipinski's Rule of Five, 8-(azepan-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-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-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-2H-chromen-2-one?
The CAS number of 8-(azepan-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-2H-chromen-2-one is 869340-82-9.
What is the molecular formula of 8-(azepan-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-2H-chromen-2-one?
The molecular formula of 8-(azepan-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-2H-chromen-2-one is C25H29NO5.
What is the molecular weight of 8-(azepan-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-2H-chromen-2-one?
The molecular weight of 8-(azepan-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-2H-chromen-2-one is 423.20 g/mol.
Where can I buy 8-(azepan-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-2H-chromen-2-one?
You can request a quote for 8-(azepan-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-7-hydroxy-4-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 8-(azepan-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 8-(azepan-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.