Isocalophyllic acid
TL;DR: Isocalophyllic acid (CAS 157810-76-9) is a chemical compound with molecular formula C25H24O6 and molecular weight 420.1573 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-3-[(2R,3S)-5-hydroxy-2,3,8,8-tetramethyl-4-oxo-2,3-dihydropyrano[2,3-h]chromen-6-yl]-3-phenylprop-2-enoic acid
Also Known As: Isocalophyllic acid, Calophyllic acid, SSJOJPHKKKSPGS-ALRNZDJHSA-, (Z)-3-[(2R,3S)-5-hydroxy-2,3,8,8-tetramethyl-4-oxo-2,3-dihydropyrano[2,3-h]chromen-6-yl]-3-phenylprop-2-enoic acid, 3-(5-Hydroxy-2,3,8,8-tetramethyl-4-oxo-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-6-yl)-3-phenyl-acrylic acid
Technical Specifications
| Molecular Formula | C25H24O6 |
| Molecular Weight | 420.1573 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.1573 Da |
| Heavy Atoms | 31 |
| Complexity | 777.0 |
| SMILES | C[C@H]1[C@H](OC2=C3C=CC(OC3=C(C(=C2C1=O)O)/C(=C\C(=O)O)/C4=CC=CC=C4)(C)C)C |
| InChIKey | SSJOJPHKKKSPGS-ALRNZDJHSA-N |
Chemical Property Profile of Isocalophyllic acid
Property Insights of Isocalophyllic acid
The XLogP value of 5.3 indicates that Isocalophyllic 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 Isocalophyllic acid. Following Lipinski's Rule of Five, Isocalophyllic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Isocalophyllic acid?
The CAS number of Isocalophyllic acid is 157810-76-9.
What is the molecular formula of Isocalophyllic acid?
The molecular formula of Isocalophyllic acid is C25H24O6.
What is the molecular weight of Isocalophyllic acid?
The molecular weight of Isocalophyllic acid is 420.1573 g/mol.
Where can I buy Isocalophyllic acid?
You can request a quote for Isocalophyllic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isocalophyllic acid?
Yes, CoreyChem provides custom synthesis services for Isocalophyllic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.