![2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoic acid structure](/static/products/4288/428845-94-7.webp)
2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoic acid
TL;DR: 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoic acid (CAS 428845-94-7) is a chemical compound with molecular formula C21H20O5 and molecular weight 352.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl)oxypropanoic acid
Also Known As: 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoic acid, 2-(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl)oxypropanoic acid, 2-(3-benzyl-4,7-dimethyl-2-oxo-chromen-5-yl)oxypropanoic Acid, 2-((3-Benzyl-4,7-dimethyl-2-oxo-2h-chromen-5-yl)oxy)propanoic acid, 2-(3-Benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxypropanoic acid
| Molecular Formula | C21H20O5 |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | 3.85254 |
| Topological Polar Surface Area | 76.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.13107 |
| Heavy Atoms | 26 |
| Complexity | 1017.99115 |
Chemical Identifiers
| CAS Number | 428845-94-7 |
|---|---|
| SMILES | CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OC(C)C(=O)O |
Product Overview
2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoic acid (CAS 428845-94-7), with molecular formula C21H20O5 and molecular weight 352.13 g/mol. IUPAC: 2-(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl)oxypropanoic acid.
Chemical Property Profile of 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoic acid
Property Insights of 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoic acid
The XLogP value of 3.85254 indicates that 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoic acid. Following Lipinski's Rule of Five, 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoic acid has 1 hydrogen bond donor(s) and 4 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 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoic acid?
The CAS number of 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoic acid is 428845-94-7.
What is the molecular formula of 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoic acid?
The molecular formula of 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoic acid is C21H20O5.
What is the molecular weight of 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoic acid?
The molecular weight of 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoic acid is 352.13 g/mol.
Where can I buy 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoic acid?
You can request a quote for 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.