Isoapetalic acid
TL;DR: Isoapetalic acid (CAS 18196-05-9) is a chemical compound with molecular formula C22H28O6 and molecular weight 388.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Isoapetalic acid
3-(5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl)hexanoic acid
Also Known As: Isoapetalic acid, Apetalic acid, Compound NP-007060, 3-(5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl)hexanoic acid, 7,8-Dihydro-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-beta-propyl-2H,6H-benzo[1,2-b:5,4-b/']dipyran-10-propio
| Molecular Formula | C22H28O6 |
|---|---|
| Molecular Weight | 388.19 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.1886 |
| Heavy Atoms | 28 |
| Complexity | 641.0 |
Chemical Identifiers
| CAS Number | 18196-05-9 |
|---|---|
| SMILES | CCCC(CC(=O)O)C1=C2C(=C(C3=C1OC(C(C3=O)C)C)O)C=CC(O2)(C)C |
| InChIKey | JZWLSXINEVHWEP-UHFFFAOYSA-N |
Product Overview
Isoapetalic acid (CAS 18196-05-9), with molecular formula C22H28O6 and molecular weight 388.19 g/mol. IUPAC: 3-(5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl)hexanoic acid.
Chemical Property Profile of Isoapetalic acid
Property Insights of Isoapetalic acid
The XLogP value of 4.7 indicates that Isoapetalic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoapetalic acid. Following Lipinski's Rule of Five, Isoapetalic acid has 2 hydrogen bond donor(s) and 6 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 Isoapetalic acid?
The CAS number of Isoapetalic acid is 18196-05-9.
What is the molecular formula of Isoapetalic acid?
The molecular formula of Isoapetalic acid is C22H28O6.
What is the molecular weight of Isoapetalic acid?
The molecular weight of Isoapetalic acid is 388.19 g/mol.
Where can I buy Isoapetalic acid?
You can request a quote for Isoapetalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoapetalic acid?
Yes, KEHONG BIO provides custom synthesis services for Isoapetalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.