Flavaspidic acid
TL;DR: Flavaspidic acid (CAS 114-42-1) is a chemical compound with molecular formula C24H30O8 and molecular weight 446.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butanoyl-4-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
Also Known As: Flavaspidic acid, Toxifren, Polystichocitrin, Flavaspidic acid BB, Flavaspidsaeure
| Molecular Formula | C24H30O8 |
|---|---|
| Molecular Weight | 446.19 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.19406 |
| Heavy Atoms | 32 |
| Complexity | 837.0 |
Chemical Identifiers
| CAS Number | 114-42-1 |
|---|---|
| SMILES | CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)CCC)(C)C)O)O)C)O |
| InChIKey | NHVQLOCTXSMKIX-UHFFFAOYSA-N |
Product Overview
Flavaspidic acid (CAS 114-42-1), with molecular formula C24H30O8 and molecular weight 446.19 g/mol. IUPAC: 2-butanoyl-4-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one.
Chemical Property Profile of Flavaspidic acid
Property Insights of Flavaspidic acid
The XLogP value of 3.8 indicates that Flavaspidic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting Flavaspidic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Flavaspidic acid has 5 hydrogen bond donor(s) and 8 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 Flavaspidic acid?
The CAS number of Flavaspidic acid is 114-42-1.
What is the molecular formula of Flavaspidic acid?
The molecular formula of Flavaspidic acid is C24H30O8.
What is the molecular weight of Flavaspidic acid?
The molecular weight of Flavaspidic acid is 446.19 g/mol.
Where can I buy Flavaspidic acid?
You can request a quote for Flavaspidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Flavaspidic acid?
Yes, KEHONG BIO provides custom synthesis services for Flavaspidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.