![ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate structure](/static/products/6702/670244-18-5.webp)
ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate
TL;DR: ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate (CAS 670244-18-5) is a chemical compound with molecular formula C21H26O6 and molecular weight 374.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxochromen-3-yl]propanoate
Also Known As: ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate, ethyl 3-(7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxo-2H-chromen-3-yl)propanoate, ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxochromen-3-yl]propanoate
| Molecular Formula | C21H26O6 |
|---|---|
| Molecular Weight | 374.17 g/mol |
| LogP | 3.59112 |
| Topological Polar Surface Area | 82.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.17294 |
| Heavy Atoms | 27 |
| Complexity | 901.2534 |
Chemical Identifiers
| CAS Number | 670244-18-5 |
|---|---|
| SMILES | CCOC(=O)CCC1=C(C2=C(C=C(C=C2)OCC(=O)C(C)(C)C)OC1=O)C |
Product Overview
ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate (CAS 670244-18-5), with molecular formula C21H26O6 and molecular weight 374.17 g/mol. IUPAC: ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxochromen-3-yl]propanoate.
Chemical Property Profile of ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate
Property Insights of ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate
The XLogP value of 3.59112 indicates that ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.81 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate. Following Lipinski's Rule of Five, ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate has 0 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 ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate?
The CAS number of ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate is 670244-18-5.
What is the molecular formula of ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate?
The molecular formula of ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate is C21H26O6.
What is the molecular weight of ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate?
The molecular weight of ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate is 374.17 g/mol.
Where can I buy ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate?
You can request a quote for ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.