Lilaline
TL;DR: Lilaline (CAS 110011-49-9) is a chemical compound with molecular formula C20H17NO7 and molecular weight 383.1005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-5-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]pyrrolidin-2-one
Also Known As: Lilaline, (+)-Lilaline, J2.770.785H, 3-methyl-5-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]pyrrolidin-2-one, 3-methyl-5-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]pyrrolidin-2-one
Technical Specifications
| Molecular Formula | C20H17NO7 |
| Molecular Weight | 383.1005 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 383.1005 Da |
| Heavy Atoms | 28 |
| Complexity | 684.0 |
| SMILES | CC1CC(NC1=O)C2=C(C=C(C3=C2OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O |
| InChIKey | YDCRQLJCXBNURP-UHFFFAOYSA-N |
Chemical Property Profile of Lilaline
Property Insights of Lilaline
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lilaline. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Lilaline. Following Lipinski's Rule of Five, Lilaline has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Lilaline?
The CAS number of Lilaline is 110011-49-9.
What is the molecular formula of Lilaline?
The molecular formula of Lilaline is C20H17NO7.
What is the molecular weight of Lilaline?
The molecular weight of Lilaline is 383.1005 g/mol.
Where can I buy Lilaline?
You can request a quote for Lilaline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Lilaline?
Yes, CoreyChem provides custom synthesis services for Lilaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.