Lilaline
TL;DR: Lilaline (CAS 110011-49-9) is a chemical compound with molecular formula C20H17NO7 and molecular weight 383.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C20H17NO7 |
|---|---|
| Molecular Weight | 383.10 g/mol |
| LogP | 2.4795 |
| Topological Polar Surface Area | 140.23 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 383.1005 |
| Heavy Atoms | 28 |
| Complexity | 1164.1183 |
Chemical Identifiers
| CAS Number | 110011-49-9 |
|---|---|
| SMILES | CC1CC(NC1=O)C2=C(C=C(C3=C2OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O |
Product Overview
Lilaline (CAS 110011-49-9), with molecular formula C20H17NO7 and molecular weight 383.10 g/mol. IUPAC: 3-methyl-5-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]pyrrolidin-2-one.
Chemical Property Profile of Lilaline
Property Insights of Lilaline
The XLogP value of 2.4795 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lilaline. The TPSA of 140.23 Ų indicates high polarity, suggesting Lilaline may have limited membrane permeability but good aqueous solubility. 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
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 383.10 g/mol.
Where can I buy Lilaline?
You can request a quote for Lilaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lilaline?
Yes, KEHONG BIO provides custom synthesis services for Lilaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.