Oxyphysodic Acid
TL;DR: Oxyphysodic Acid (CAS 53899-46-0) is a chemical compound with molecular formula C26H30O9 and molecular weight 486.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Oxyphysodic Acid
3,9,10-trihydroxy-6-oxo-7-(2-oxoheptyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid
Also Known As: Oxyphysodic acid, Physodol, 3-Hydroxyphysodic acid, ACon1_002088, BRD-K49087883-001-01-5
| Molecular Formula | C26H30O9 |
|---|---|
| Molecular Weight | 486.19 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 486.189 |
| Heavy Atoms | 35 |
| Complexity | 740.0 |
Chemical Identifiers
| CAS Number | 53899-46-0 |
|---|---|
| SMILES | CCCCCC1=C(C(=CC2=C1OC3=C(C(=CC(=C3O)O)CC(=O)CCCCC)C(=O)O2)O)C(=O)O |
| InChIKey | BQHHNAPTXQOPBW-UHFFFAOYSA-N |
Product Overview
Oxyphysodic Acid (CAS 53899-46-0), with molecular formula C26H30O9 and molecular weight 486.19 g/mol. IUPAC: 3,9,10-trihydroxy-6-oxo-7-(2-oxoheptyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid.
Chemical Property Profile of Oxyphysodic Acid
Property Insights of Oxyphysodic Acid
The XLogP value of 5.9 indicates that Oxyphysodic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.0 Ų indicates high polarity, suggesting Oxyphysodic Acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxyphysodic Acid has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Oxyphysodic Acid?
The CAS number of Oxyphysodic Acid is 53899-46-0.
What is the molecular formula of Oxyphysodic Acid?
The molecular formula of Oxyphysodic Acid is C26H30O9.
What is the molecular weight of Oxyphysodic Acid?
The molecular weight of Oxyphysodic Acid is 486.19 g/mol.
Where can I buy Oxyphysodic Acid?
You can request a quote for Oxyphysodic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxyphysodic Acid?
Yes, KEHONG BIO provides custom synthesis services for Oxyphysodic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.