1,4-Dicaffeoylquinic acid
TL;DR: 1,4-Dicaffeoylquinic acid (CAS 1182-34-9) 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.
1,4-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,5-dihydroxycyclohexane-1-carboxylic acid
Also Known As: Cynarin, 1,4-Dicaffeoylquinic acid, Dicaffeoylquinic acid, 1,4-, 1,4-DCQA, 1,4-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,5-dihydroxycyclohexane-1-carboxylic 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 | 873.0 |
| SMILES | C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O |
| InChIKey | IYXQRCXQQWUFQV-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Dicaffeoylquinic acid
Property Insights of 1,4-Dicaffeoylquinic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dicaffeoylquinic acid. The TPSA of 211.0 Ų indicates high polarity, suggesting 1,4-Dicaffeoylquinic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4-Dicaffeoylquinic acid 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 1,4-Dicaffeoylquinic acid?
The CAS number of 1,4-Dicaffeoylquinic acid is 1182-34-9.
What is the molecular formula of 1,4-Dicaffeoylquinic acid?
The molecular formula of 1,4-Dicaffeoylquinic acid is C25H24O12.
What is the molecular weight of 1,4-Dicaffeoylquinic acid?
The molecular weight of 1,4-Dicaffeoylquinic acid is 516.1268 g/mol.
Where can I buy 1,4-Dicaffeoylquinic acid?
You can request a quote for 1,4-Dicaffeoylquinic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Dicaffeoylquinic acid?
Yes, CoreyChem provides custom synthesis services for 1,4-Dicaffeoylquinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.