methyl (7-butoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetate
TL;DR: methyl (7-butoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetate (CAS 694517-65-2) is a chemical compound with molecular formula C18H22O5 and molecular weight 318.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(7-butoxy-4,8-dimethyl-2-oxochromen-3-yl)acetate
Also Known As: EiM07-16628, methyl (7-butoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetate, methyl 2-(7-butoxy-4,8-dimethyl-2-oxochromen-3-yl)acetate, methyl 2-(7-butoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetate
| Molecular Formula | C18H22O5 |
|---|---|
| Molecular Weight | 318.15 g/mol |
| LogP | 3.30424 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.14673 |
| Heavy Atoms | 23 |
| Complexity | 773.0561 |
Chemical Identifiers
| CAS Number | 694517-65-2 |
|---|---|
| SMILES | CCCCOC1=C(C2=C(C=C1)C(=C(C(=O)O2)CC(=O)OC)C)C |
Product Overview
methyl (7-butoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetate (CAS 694517-65-2), with molecular formula C18H22O5 and molecular weight 318.15 g/mol. IUPAC: methyl 2-(7-butoxy-4,8-dimethyl-2-oxochromen-3-yl)acetate.
Chemical Property Profile of methyl (7-butoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetate
Property Insights of methyl (7-butoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetate
The XLogP value of 3.30424 indicates that methyl (7-butoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (7-butoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetate. Following Lipinski's Rule of Five, methyl (7-butoxy-4,8-dimethyl-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 (7-butoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetate?
The CAS number of methyl (7-butoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetate is 694517-65-2.
What is the molecular formula of methyl (7-butoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetate?
The molecular formula of methyl (7-butoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetate is C18H22O5.
What is the molecular weight of methyl (7-butoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetate?
The molecular weight of methyl (7-butoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetate is 318.15 g/mol.
Where can I buy methyl (7-butoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetate?
You can request a quote for methyl (7-butoxy-4,8-dimethyl-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 (7-butoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (7-butoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.