3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-propionic acid
TL;DR: 3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-propionic acid (CAS 146631-00-7) is a chemical compound with molecular formula C13H12O5 and molecular weight 248.06847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoic acid
Also Known As: 3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-propionic acid, 4-Benzyloxyphenylboronic acid, 3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoic acid, 3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoic acid, BAS 03150451
Technical Specifications
| Molecular Formula | C13H12O5 |
| Molecular Weight | 248.06847 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.06847 Da |
| Heavy Atoms | 18 |
| Complexity | 398.0 |
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)O |
| InChIKey | YFGDSAVPKKKVDY-UHFFFAOYSA-N |
Chemical Property Profile of 3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-propionic acid
Property Insights of 3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-propionic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-propionic acid. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-propionic acid. Following Lipinski's Rule of Five, 3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-propionic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-propionic acid?
The CAS number of 3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-propionic acid is 146631-00-7.
What is the molecular formula of 3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-propionic acid?
The molecular formula of 3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-propionic acid is C13H12O5.
What is the molecular weight of 3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-propionic acid?
The molecular weight of 3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-propionic acid is 248.06847 g/mol.
Where can I buy 3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-propionic acid?
You can request a quote for 3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-propionic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-propionic acid?
Yes, CoreyChem provides custom synthesis services for 3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.