Isochlorogenic acid C
TL;DR: Isochlorogenic acid C (CAS 14534-61-3) is a chemical compound with molecular formula C25H24O12 and molecular weight 516.1268 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,3R,4S,5R)-3,4-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexane-1-carboxylic acid
Also Known As: Isochlorogenic acid C, 4,5-Dicaffeoylquinic acid, 3,4-Dicaffeoylquinic acid, (1R,3R,4S,5R)-1,5-Dihydroxy-3,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1-cyclohexanecarboxylic acid, (1R,3R,4S,5R)-3,4-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxycyclohexanecarboxylic acid
Technical Specifications
| Molecular Formula | C25H24O12 |
| Molecular Weight | 516.1268 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 211.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 516.1268 Da |
| Heavy Atoms | 37 |
| Complexity | 887.0 |
| SMILES | C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O |
| InChIKey | UFCLZKMFXSILNL-GCBRTHAASA-N |
Chemical Property Profile of Isochlorogenic acid C
Property Insights of Isochlorogenic acid C
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isochlorogenic acid C. The TPSA of 211.0 Ų indicates high polarity, suggesting Isochlorogenic acid C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isochlorogenic acid C has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Isochlorogenic acid C?
The CAS number of Isochlorogenic acid C is 14534-61-3.
What is the molecular formula of Isochlorogenic acid C?
The molecular formula of Isochlorogenic acid C is C25H24O12.
What is the molecular weight of Isochlorogenic acid C?
The molecular weight of Isochlorogenic acid C is 516.1268 g/mol.
Where can I buy Isochlorogenic acid C?
You can request a quote for Isochlorogenic acid C directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isochlorogenic acid C?
Yes, CoreyChem provides custom synthesis services for Isochlorogenic acid C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.