N-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl)valine
TL;DR: N-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl)valine (CAS 1396965-42-6) is a chemical compound with molecular formula C21H21NO5 and molecular weight 367.14197 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(7-hydroxy-2-oxo-4-phenylchromen-8-yl)methylamino]-3-methylbutanoic acid
Also Known As: NCI60_025972, N-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl)valine, 2-(((7-hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl)amino)-3-methylbutanoic acid, 2-[(7-hydroxy-2-oxo-4-phenyl-chromen-8-yl)methylamino]-3-methyl-butanoic acid, 2-[(7-hydroxy-2-oxo-4-phenylchromen-8-yl)methylamino]-3-methylbutanoic acid
Technical Specifications
| Molecular Formula | C21H21NO5 |
| Molecular Weight | 367.14197 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 95.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.14197 Da |
| Heavy Atoms | 27 |
| Complexity | 581.0 |
| SMILES | CC(C)C(C(=O)O)NCC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)O |
| InChIKey | YOCIUTZYUSFEOO-UHFFFAOYSA-N |
Chemical Property Profile of N-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl)valine
Property Insights of N-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl)valine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl)valine. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl)valine. Following Lipinski's Rule of Five, N-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl)valine 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 N-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl)valine?
The CAS number of N-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl)valine is 1396965-42-6.
What is the molecular formula of N-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl)valine?
The molecular formula of N-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl)valine is C21H21NO5.
What is the molecular weight of N-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl)valine?
The molecular weight of N-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl)valine is 367.14197 g/mol.
Where can I buy N-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl)valine?
You can request a quote for N-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl)valine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl)valine?
Yes, CoreyChem provides custom synthesis services for N-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl)valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.