Ethyl 3-(6-acetyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoate
TL;DR: Ethyl 3-(6-acetyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoate (CAS 5851-98-9) is a chemical compound with molecular formula C17H18O6 and molecular weight 318.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(6-acetyl-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoate
Also Known As: Ethyl 3-(6-acetyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoate, ethyl 3-(6-acetyl-7-hydroxy-4-methyl-2-oxochromen-3-yl)propa, ethyl 3-(6-acetyl-7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoate, ethyl 3-(6-acetyl-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoate
| Molecular Formula | C17H18O6 |
|---|---|
| Molecular Weight | 318.11 g/mol |
| LogP | 2.50532 |
| Topological Polar Surface Area | 93.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.11035 |
| Heavy Atoms | 23 |
| Complexity | 831.073 |
Chemical Identifiers
| CAS Number | 5851-98-9 |
|---|---|
| SMILES | CCOC(=O)CCC1=C(C2=CC(=C(C=C2OC1=O)O)C(=O)C)C |
Product Overview
Ethyl 3-(6-acetyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoate (CAS 5851-98-9), with molecular formula C17H18O6 and molecular weight 318.11 g/mol. IUPAC: ethyl 3-(6-acetyl-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoate.
Chemical Property Profile of Ethyl 3-(6-acetyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoate
Property Insights of Ethyl 3-(6-acetyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoate
The XLogP value of 2.50532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(6-acetyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoate. The TPSA of 93.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(6-acetyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoate. Following Lipinski's Rule of Five, Ethyl 3-(6-acetyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoate 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 3-(6-acetyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoate?
The CAS number of Ethyl 3-(6-acetyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoate is 5851-98-9.
What is the molecular formula of Ethyl 3-(6-acetyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoate?
The molecular formula of Ethyl 3-(6-acetyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoate is C17H18O6.
What is the molecular weight of Ethyl 3-(6-acetyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoate?
The molecular weight of Ethyl 3-(6-acetyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoate is 318.11 g/mol.
Where can I buy Ethyl 3-(6-acetyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoate?
You can request a quote for Ethyl 3-(6-acetyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-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-(6-acetyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(6-acetyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.