Flavellagic Acid
TL;DR: Flavellagic Acid (CAS 741-67-3) is a chemical compound with molecular formula C14H6O9 and molecular weight 318.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6,7,13,14-pentahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione
Also Known As: Flavellagic acid, (1)Benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione, 1,2,3,7,8-pentahydroxy-, 1,2,3,7,8-Pentahydroxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 5,6,7,13,14-pentahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione, RefChem:921641
| Molecular Formula | C14H6O9 |
|---|---|
| Molecular Weight | 318.00 g/mol |
| LogP | 1.0184 |
| Topological Polar Surface Area | 161.57 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 318.0012 |
| Heavy Atoms | 23 |
| Complexity | 1245.4233 |
Chemical Identifiers
| CAS Number | 741-67-3 |
|---|---|
| SMILES | C1=C2C3=C(C(=C1O)O)OC(=O)C4=C3C(=C(C(=C4O)O)O)OC2=O |
Product Overview
Flavellagic Acid (CAS 741-67-3), with molecular formula C14H6O9 and molecular weight 318.00 g/mol. IUPAC: 5,6,7,13,14-pentahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione.
Chemical Property Profile of Flavellagic Acid
Property Insights of Flavellagic Acid
The XLogP value of 1.0184 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Flavellagic Acid. The TPSA of 161.57 Ų indicates high polarity, suggesting Flavellagic Acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Flavellagic Acid has 5 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 Flavellagic Acid?
The CAS number of Flavellagic Acid is 741-67-3.
What is the molecular formula of Flavellagic Acid?
The molecular formula of Flavellagic Acid is C14H6O9.
What is the molecular weight of Flavellagic Acid?
The molecular weight of Flavellagic Acid is 318.00 g/mol.
Where can I buy Flavellagic Acid?
You can request a quote for Flavellagic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Flavellagic Acid?
Yes, KEHONG BIO provides custom synthesis services for Flavellagic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.