Gardenin A
TL;DR: Gardenin A (CAS 21187-73-5) is a chemical compound with molecular formula C21H22O9 and molecular weight 418.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-6,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Also Known As: Gardenin A, Gardenin, 2-Azacycloheptanone, Gardenin (1), gardenin a, AldrichCPR
| Molecular Formula | C21H22O9 |
|---|---|
| Molecular Weight | 418.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.12637 |
| Heavy Atoms | 30 |
| Complexity | 610.0 |
Chemical Identifiers
| CAS Number | 21187-73-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O |
| InChIKey | MQBFFYQCZCKSBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Gardenin A (CAS 21187-73-5), with molecular formula C21H22O9 and molecular weight 418.13 g/mol. IUPAC: 5-hydroxy-6,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one.
Chemical Property Profile of Gardenin A
Property Insights of Gardenin A
The XLogP value of 3.2 indicates that Gardenin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Gardenin A. Following Lipinski's Rule of Five, Gardenin A has 1 hydrogen bond donor(s) and 9 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 Gardenin A?
The CAS number of Gardenin A is 21187-73-5.
What is the molecular formula of Gardenin A?
The molecular formula of Gardenin A is C21H22O9.
What is the molecular weight of Gardenin A?
The molecular weight of Gardenin A is 418.13 g/mol.
Where can I buy Gardenin A?
You can request a quote for Gardenin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gardenin A?
Yes, KEHONG BIO provides custom synthesis services for Gardenin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.