4,8-dimethyl-7-((2-oxocyclohexyl)oxy)-2H-chromen-2-one
TL;DR: 4,8-dimethyl-7-((2-oxocyclohexyl)oxy)-2H-chromen-2-one (CAS 109028-96-8) is a chemical compound with molecular formula C17H18O4 and molecular weight 286.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,8-dimethyl-7-(2-oxocyclohexyl)oxychromen-2-one
Also Known As: 4,8-Dimethyl-7-(2'-oxocyclohexyloxy)coumarin, 4,8-Dimethyl-7-(2''-oxocyclohexyloxy)coumarin, 4,8-dimethyl-7-((2-oxocyclohexyl)oxy)-2H-chromen-2-one, 4,8-dimethyl-7-(2-oxocyclohexyl)oxychromen-2-one, 4,8-dimethyl-7-[(2-oxocyclohexyl)oxy]-2H-chromen-2-one
| Molecular Formula | C17H18O4 |
|---|---|
| Molecular Weight | 286.12 g/mol |
| LogP | 3.30034 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.1205 |
| Heavy Atoms | 21 |
| Complexity | 757.20953 |
Chemical Identifiers
| CAS Number | 109028-96-8 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2C)OC3CCCCC3=O |
Product Overview
4,8-dimethyl-7-((2-oxocyclohexyl)oxy)-2H-chromen-2-one (CAS 109028-96-8), with molecular formula C17H18O4 and molecular weight 286.12 g/mol. IUPAC: 4,8-dimethyl-7-(2-oxocyclohexyl)oxychromen-2-one.
Chemical Property Profile of 4,8-dimethyl-7-((2-oxocyclohexyl)oxy)-2H-chromen-2-one
Property Insights of 4,8-dimethyl-7-((2-oxocyclohexyl)oxy)-2H-chromen-2-one
The XLogP value of 3.30034 indicates that 4,8-dimethyl-7-((2-oxocyclohexyl)oxy)-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 56.51 Ų, 4,8-dimethyl-7-((2-oxocyclohexyl)oxy)-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,8-dimethyl-7-((2-oxocyclohexyl)oxy)-2H-chromen-2-one has 0 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 4,8-dimethyl-7-((2-oxocyclohexyl)oxy)-2H-chromen-2-one?
The CAS number of 4,8-dimethyl-7-((2-oxocyclohexyl)oxy)-2H-chromen-2-one is 109028-96-8.
What is the molecular formula of 4,8-dimethyl-7-((2-oxocyclohexyl)oxy)-2H-chromen-2-one?
The molecular formula of 4,8-dimethyl-7-((2-oxocyclohexyl)oxy)-2H-chromen-2-one is C17H18O4.
What is the molecular weight of 4,8-dimethyl-7-((2-oxocyclohexyl)oxy)-2H-chromen-2-one?
The molecular weight of 4,8-dimethyl-7-((2-oxocyclohexyl)oxy)-2H-chromen-2-one is 286.12 g/mol.
Where can I buy 4,8-dimethyl-7-((2-oxocyclohexyl)oxy)-2H-chromen-2-one?
You can request a quote for 4,8-dimethyl-7-((2-oxocyclohexyl)oxy)-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 4,8-dimethyl-7-((2-oxocyclohexyl)oxy)-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4,8-dimethyl-7-((2-oxocyclohexyl)oxy)-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.