Thuriferic acid
TL;DR: Thuriferic acid (CAS 120090-82-6) is a chemical compound with molecular formula C22H20O8 and molecular weight 412.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Thuriferic acid
6-methylidene-5-oxo-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid
Also Known As: Thuriferic acid, 6-methylidene-5-oxo-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid, 6-methylene-5-oxo-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid, 7-Methylene-8-oxo-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxylic acid, Naphtho[2,3-d]-1,3-dioxole-6-carboxylicacid, 5,6,7,8-tetrahydro-7-methylene-8-oxo-5-(3,4,5-trimethoxyphenyl)-,(5R,6S)-
| Molecular Formula | C22H20O8 |
|---|---|
| Molecular Weight | 412.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.1158 |
| Heavy Atoms | 30 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 120090-82-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C(C(=C)C(=O)C3=CC4=C(C=C23)OCO4)C(=O)O |
| InChIKey | HLSXUNBUCPHTDA-UHFFFAOYSA-N |
Product Overview
Thuriferic acid (CAS 120090-82-6), with molecular formula C22H20O8 and molecular weight 412.12 g/mol. IUPAC: 6-methylidene-5-oxo-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid.
Chemical Property Profile of Thuriferic acid
Property Insights of Thuriferic acid
The XLogP value of 3.0 indicates that Thuriferic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thuriferic acid. Following Lipinski's Rule of Five, Thuriferic acid has 1 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 Thuriferic acid?
The CAS number of Thuriferic acid is 120090-82-6.
What is the molecular formula of Thuriferic acid?
The molecular formula of Thuriferic acid is C22H20O8.
What is the molecular weight of Thuriferic acid?
The molecular weight of Thuriferic acid is 412.12 g/mol.
Where can I buy Thuriferic acid?
You can request a quote for Thuriferic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thuriferic acid?
Yes, KEHONG BIO provides custom synthesis services for Thuriferic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.