Physodalic acid
TL;DR: Physodalic acid (CAS 90689-60-4) is a chemical compound with molecular formula C20H16O10 and molecular weight 416.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Physodalic acid
4-(acetyloxymethyl)-10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid
Also Known As: Physodalic acid, Physodic acid, J3.242.998J, 4-(acetyloxymethyl)-10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid, 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylicacid, 9-[(acetyloxy)methyl]-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-
| Molecular Formula | C20H16O10 |
|---|---|
| Molecular Weight | 416.07 g/mol |
| LogP | 2.61334 |
| Topological Polar Surface Area | 156.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.07434 |
| Heavy Atoms | 30 |
| Complexity | 1129.6278 |
Chemical Identifiers
| CAS Number | 90689-60-4 |
|---|---|
| SMILES | CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3COC(=O)C)O)C(=O)O)C)C=O)O |
Product Overview
Physodalic acid (CAS 90689-60-4), with molecular formula C20H16O10 and molecular weight 416.07 g/mol. IUPAC: 4-(acetyloxymethyl)-10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid.
Chemical Property Profile of Physodalic acid
Property Insights of Physodalic acid
The XLogP value of 2.61334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Physodalic acid. The TPSA of 156.66 Ų indicates high polarity, suggesting Physodalic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Physodalic acid has 3 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 Physodalic acid?
The CAS number of Physodalic acid is 90689-60-4.
What is the molecular formula of Physodalic acid?
The molecular formula of Physodalic acid is C20H16O10.
What is the molecular weight of Physodalic acid?
The molecular weight of Physodalic acid is 416.07 g/mol.
Where can I buy Physodalic acid?
You can request a quote for Physodalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Physodalic acid?
Yes, KEHONG BIO provides custom synthesis services for Physodalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.