3-(4-chlorophenyl)-2-(2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)propanoic acid
TL;DR: 3-(4-chlorophenyl)-2-(2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)propanoic acid (CAS 1008936-03-5) is a chemical compound with molecular formula C21H18ClNO6 and molecular weight 415.08228 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chlorophenyl)-2-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]propanoic acid
Also Known As: 3-(4-chlorophenyl)-2-(2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)propanoic acid, 4-chloro-N-[(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]phenylalanine, 3-(4-chlorophenyl)-2-[[2-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]propanoic Acid, 3-(4-chlorophenyl)-2-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]propanoic acid
Technical Specifications
| Molecular Formula | C21H18ClNO6 |
| Molecular Weight | 415.08228 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.08228 Da |
| Heavy Atoms | 29 |
| Complexity | 685.0 |
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)NC(CC3=CC=C(C=C3)Cl)C(=O)O |
| InChIKey | HTNHYGWBWDMNGI-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-chlorophenyl)-2-(2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)propanoic acid
Property Insights of 3-(4-chlorophenyl)-2-(2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)propanoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-chlorophenyl)-2-(2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)propanoic acid. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chlorophenyl)-2-(2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)propanoic acid. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-2-(2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)propanoic acid has 3 hydrogen bond donor(s) and 6 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-(4-chlorophenyl)-2-(2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)propanoic acid?
The CAS number of 3-(4-chlorophenyl)-2-(2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)propanoic acid is 1008936-03-5.
What is the molecular formula of 3-(4-chlorophenyl)-2-(2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)propanoic acid?
The molecular formula of 3-(4-chlorophenyl)-2-(2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)propanoic acid is C21H18ClNO6.
What is the molecular weight of 3-(4-chlorophenyl)-2-(2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)propanoic acid?
The molecular weight of 3-(4-chlorophenyl)-2-(2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)propanoic acid is 415.08228 g/mol.
Where can I buy 3-(4-chlorophenyl)-2-(2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)propanoic acid?
You can request a quote for 3-(4-chlorophenyl)-2-(2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-chlorophenyl)-2-(2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)propanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(4-chlorophenyl)-2-(2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.