2-(2,3-Dimethyl-4-oxo-4H-1-benzopyran-6-yl)butanoic acid
TL;DR: 2-(2,3-Dimethyl-4-oxo-4H-1-benzopyran-6-yl)butanoic acid (CAS 173469-72-2) is a chemical compound with molecular formula C15H16O4 and molecular weight 260.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3-dimethyl-4-oxochromen-6-yl)butanoic acid
Also Known As: 2-(2,3-Dimethylchromon-6-yl)butanoic acid, 2,3-Dimethyl-alpha-ethyl-4-oxo-4H-1-benzopyran-6-acetic acid, 4H-1-Benzopyran-6-acetic acid, 2,3-dimethyl-alpha-ethyl-4-oxo-, 2-(2,3-dimethyl-4-oxochromen-6-yl)butanoic acid, 2-(2,3-Dimethyl-4-oxo-4H-1-benzopyran-6-yl)butanoic acid
| Molecular Formula | C15H16O4 |
|---|---|
| Molecular Weight | 260.10 g/mol |
| LogP | 2.98804 |
| Topological Polar Surface Area | 67.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.10486 |
| Heavy Atoms | 19 |
| Complexity | 697.0932 |
Chemical Identifiers
| CAS Number | 173469-72-2 |
|---|---|
| SMILES | CCC(C1=CC2=C(C=C1)OC(=C(C2=O)C)C)C(=O)O |
Product Overview
2-(2,3-Dimethyl-4-oxo-4H-1-benzopyran-6-yl)butanoic acid (CAS 173469-72-2), with molecular formula C15H16O4 and molecular weight 260.10 g/mol. IUPAC: 2-(2,3-dimethyl-4-oxochromen-6-yl)butanoic acid.
Chemical Property Profile of 2-(2,3-Dimethyl-4-oxo-4H-1-benzopyran-6-yl)butanoic acid
Property Insights of 2-(2,3-Dimethyl-4-oxo-4H-1-benzopyran-6-yl)butanoic acid
The XLogP value of 2.98804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,3-Dimethyl-4-oxo-4H-1-benzopyran-6-yl)butanoic acid. The TPSA of 67.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,3-Dimethyl-4-oxo-4H-1-benzopyran-6-yl)butanoic acid. Following Lipinski's Rule of Five, 2-(2,3-Dimethyl-4-oxo-4H-1-benzopyran-6-yl)butanoic acid has 1 hydrogen bond donor(s) and 3 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-(2,3-Dimethyl-4-oxo-4H-1-benzopyran-6-yl)butanoic acid?
The CAS number of 2-(2,3-Dimethyl-4-oxo-4H-1-benzopyran-6-yl)butanoic acid is 173469-72-2.
What is the molecular formula of 2-(2,3-Dimethyl-4-oxo-4H-1-benzopyran-6-yl)butanoic acid?
The molecular formula of 2-(2,3-Dimethyl-4-oxo-4H-1-benzopyran-6-yl)butanoic acid is C15H16O4.
What is the molecular weight of 2-(2,3-Dimethyl-4-oxo-4H-1-benzopyran-6-yl)butanoic acid?
The molecular weight of 2-(2,3-Dimethyl-4-oxo-4H-1-benzopyran-6-yl)butanoic acid is 260.10 g/mol.
Where can I buy 2-(2,3-Dimethyl-4-oxo-4H-1-benzopyran-6-yl)butanoic acid?
You can request a quote for 2-(2,3-Dimethyl-4-oxo-4H-1-benzopyran-6-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,3-Dimethyl-4-oxo-4H-1-benzopyran-6-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,3-Dimethyl-4-oxo-4H-1-benzopyran-6-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.