Isophysodic acid
TL;DR: Isophysodic acid (CAS 188347-29-7) is a chemical compound with molecular formula C26H30O8 and molecular weight 470.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Isophysodic acid
4,6-dihydroxy-3-(6-hydroxy-1-oxo-3-pentylisochromen-8-yl)oxy-2-pentylbenzoic acid
Also Known As: Isophysodic acid, J3.242.997A, 3-Pentyl-6-hydroxy-8-(2-pentyl-3-carboxy-4,6-dihydroxyphenoxy)-1H-2-benzopyran-1-one, 4,6-Dihydroxy-3-(6-hydroxy-1-oxo-3-pentyl-1H-2-benzopyran-8-yloxy)-2-pentyl-benzoic acid, 4,6-Dihydroxy-3-(6-hydroxy-1-oxo-3-pentyl-1H-isochromen-8-yloxy)-2-pentyl-benzoic acid
| Molecular Formula | C26H30O8 |
|---|---|
| Molecular Weight | 470.19 g/mol |
| LogP | 5.8657 |
| Topological Polar Surface Area | 137.43 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 470.19406 |
| Heavy Atoms | 34 |
| Complexity | 1242.0048 |
Chemical Identifiers
| CAS Number | 188347-29-7 |
|---|---|
| SMILES | CCCCCC1=CC2=CC(=CC(=C2C(=O)O1)OC3=C(C=C(C(=C3CCCCC)C(=O)O)O)O)O |
Product Overview
Isophysodic acid (CAS 188347-29-7), with molecular formula C26H30O8 and molecular weight 470.19 g/mol. IUPAC: 4,6-dihydroxy-3-(6-hydroxy-1-oxo-3-pentylisochromen-8-yl)oxy-2-pentylbenzoic acid.
Chemical Property Profile of Isophysodic acid
Property Insights of Isophysodic acid
The XLogP value of 5.8657 indicates that Isophysodic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Isophysodic acid. Following Lipinski's Rule of Five, Isophysodic acid has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isophysodic acid?
The CAS number of Isophysodic acid is 188347-29-7.
What is the molecular formula of Isophysodic acid?
The molecular formula of Isophysodic acid is C26H30O8.
What is the molecular weight of Isophysodic acid?
The molecular weight of Isophysodic acid is 470.19 g/mol.
Where can I buy Isophysodic acid?
You can request a quote for Isophysodic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isophysodic acid?
Yes, KEHONG BIO provides custom synthesis services for Isophysodic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.