Ethyl 2-(6-benzoyl-7-hydroxy-4-methyl-2-oxo-chromen-3-YL)acetate
TL;DR: Ethyl 2-(6-benzoyl-7-hydroxy-4-methyl-2-oxo-chromen-3-YL)acetate (CAS 5852-02-8) is a chemical compound with molecular formula C21H18O6 and molecular weight 366.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(6-benzoyl-7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate
Also Known As: NCI60_000349, ethyl 2-(6-benzoyl-7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate, ETHYL 2-(6-BENZOYL-7-HYDROXY-4-METHYL-2-OXO-CHROMEN-3-YL)ACETATE, Ethyl (6-benzoyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate
| Molecular Formula | C21H18O6 |
|---|---|
| Molecular Weight | 366.11 g/mol |
| LogP | 3.14362 |
| Topological Polar Surface Area | 93.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.11035 |
| Heavy Atoms | 27 |
| Complexity | 1079.2625 |
Chemical Identifiers
| CAS Number | 5852-02-8 |
|---|---|
| SMILES | CCOC(=O)CC1=C(C2=CC(=C(C=C2OC1=O)O)C(=O)C3=CC=CC=C3)C |
Product Overview
Ethyl 2-(6-benzoyl-7-hydroxy-4-methyl-2-oxo-chromen-3-YL)acetate (CAS 5852-02-8), with molecular formula C21H18O6 and molecular weight 366.11 g/mol. IUPAC: ethyl 2-(6-benzoyl-7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate.
Chemical Property Profile of Ethyl 2-(6-benzoyl-7-hydroxy-4-methyl-2-oxo-chromen-3-YL)acetate
Property Insights of Ethyl 2-(6-benzoyl-7-hydroxy-4-methyl-2-oxo-chromen-3-YL)acetate
The XLogP value of 3.14362 indicates that Ethyl 2-(6-benzoyl-7-hydroxy-4-methyl-2-oxo-chromen-3-YL)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(6-benzoyl-7-hydroxy-4-methyl-2-oxo-chromen-3-YL)acetate. Following Lipinski's Rule of Five, Ethyl 2-(6-benzoyl-7-hydroxy-4-methyl-2-oxo-chromen-3-YL)acetate 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 Ethyl 2-(6-benzoyl-7-hydroxy-4-methyl-2-oxo-chromen-3-YL)acetate?
The CAS number of Ethyl 2-(6-benzoyl-7-hydroxy-4-methyl-2-oxo-chromen-3-YL)acetate is 5852-02-8.
What is the molecular formula of Ethyl 2-(6-benzoyl-7-hydroxy-4-methyl-2-oxo-chromen-3-YL)acetate?
The molecular formula of Ethyl 2-(6-benzoyl-7-hydroxy-4-methyl-2-oxo-chromen-3-YL)acetate is C21H18O6.
What is the molecular weight of Ethyl 2-(6-benzoyl-7-hydroxy-4-methyl-2-oxo-chromen-3-YL)acetate?
The molecular weight of Ethyl 2-(6-benzoyl-7-hydroxy-4-methyl-2-oxo-chromen-3-YL)acetate is 366.11 g/mol.
Where can I buy Ethyl 2-(6-benzoyl-7-hydroxy-4-methyl-2-oxo-chromen-3-YL)acetate?
You can request a quote for Ethyl 2-(6-benzoyl-7-hydroxy-4-methyl-2-oxo-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 Ethyl 2-(6-benzoyl-7-hydroxy-4-methyl-2-oxo-chromen-3-YL)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(6-benzoyl-7-hydroxy-4-methyl-2-oxo-chromen-3-YL)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.