![methyl 2-{4-methyl-7-[(2-methylallyl)oxy]-2-oxo-2H-chromen-3-yl}acetate structure](/static/products/858/858759-68-9.png)
methyl 2-{4-methyl-7-[(2-methylallyl)oxy]-2-oxo-2H-chromen-3-yl}acetate
TL;DR: methyl 2-{4-methyl-7-[(2-methylallyl)oxy]-2-oxo-2H-chromen-3-yl}acetate (CAS 858759-68-9) is a chemical compound with molecular formula C17H18O5 and molecular weight 302.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]acetate
Also Known As: methyl 2-{4-methyl-7-[(2-methylallyl)oxy]-2-oxo-2H-chromen-3-yl}acetate, methyl 2-(4-methyl-7-((2-methylallyl)oxy)-2-oxo-2H-chromen-3-yl)acetate, methyl 2-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]acetate, methyl {4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-chromen-3-yl}acetate, METHYL 2-{4-METHYL-7-[(2-METHYLPROP-2-EN-1-YL)OXY]-2-OXO-2H-CHROMEN-3-YL}ACETATE
| Molecular Formula | C17H18O5 |
|---|---|
| Molecular Weight | 302.12 g/mol |
| LogP | 2.77182 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.11542 |
| Heavy Atoms | 22 |
| Complexity | 785.47125 |
Chemical Identifiers
| CAS Number | 858759-68-9 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=C)C)CC(=O)OC |
Product Overview
methyl 2-{4-methyl-7-[(2-methylallyl)oxy]-2-oxo-2H-chromen-3-yl}acetate (CAS 858759-68-9), with molecular formula C17H18O5 and molecular weight 302.12 g/mol. IUPAC: methyl 2-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]acetate.
Chemical Property Profile of methyl 2-{4-methyl-7-[(2-methylallyl)oxy]-2-oxo-2H-chromen-3-yl}acetate
Property Insights of methyl 2-{4-methyl-7-[(2-methylallyl)oxy]-2-oxo-2H-chromen-3-yl}acetate
The XLogP value of 2.77182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-{4-methyl-7-[(2-methylallyl)oxy]-2-oxo-2H-chromen-3-yl}acetate. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{4-methyl-7-[(2-methylallyl)oxy]-2-oxo-2H-chromen-3-yl}acetate. Following Lipinski's Rule of Five, methyl 2-{4-methyl-7-[(2-methylallyl)oxy]-2-oxo-2H-chromen-3-yl}acetate has 0 hydrogen bond donor(s) and 5 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 methyl 2-{4-methyl-7-[(2-methylallyl)oxy]-2-oxo-2H-chromen-3-yl}acetate?
The CAS number of methyl 2-{4-methyl-7-[(2-methylallyl)oxy]-2-oxo-2H-chromen-3-yl}acetate is 858759-68-9.
What is the molecular formula of methyl 2-{4-methyl-7-[(2-methylallyl)oxy]-2-oxo-2H-chromen-3-yl}acetate?
The molecular formula of methyl 2-{4-methyl-7-[(2-methylallyl)oxy]-2-oxo-2H-chromen-3-yl}acetate is C17H18O5.
What is the molecular weight of methyl 2-{4-methyl-7-[(2-methylallyl)oxy]-2-oxo-2H-chromen-3-yl}acetate?
The molecular weight of methyl 2-{4-methyl-7-[(2-methylallyl)oxy]-2-oxo-2H-chromen-3-yl}acetate is 302.12 g/mol.
Where can I buy methyl 2-{4-methyl-7-[(2-methylallyl)oxy]-2-oxo-2H-chromen-3-yl}acetate?
You can request a quote for methyl 2-{4-methyl-7-[(2-methylallyl)oxy]-2-oxo-2H-chromen-3-yl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-{4-methyl-7-[(2-methylallyl)oxy]-2-oxo-2H-chromen-3-yl}acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{4-methyl-7-[(2-methylallyl)oxy]-2-oxo-2H-chromen-3-yl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.