Chicoric acid
TL;DR: Chicoric acid (CAS 6537-80-0) is a chemical compound with molecular formula C22H18O12 and molecular weight 474.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R)-2,3-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]butanedioic acid
Also Known As: Chicoric acid, Cichoric Acid, L-Chicoric acid, dl-Chicoric acid, (-)-Chicoric acid;trans-Caffeoyltartaric acid
| Molecular Formula | C22H18O12 |
|---|---|
| Molecular Weight | 474.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 474.07983 |
| Heavy Atoms | 34 |
| Complexity | 740.0 |
Chemical Identifiers
| CAS Number | 6537-80-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=CC(=O)O[C@H]([C@H](C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)C(=O)O)O)O |
| InChIKey | YDDGKXBLOXEEMN-WOJBJXKFSA-N |
Product Overview
Chicoric acid (CAS 6537-80-0), with molecular formula C22H18O12 and molecular weight 474.08 g/mol. IUPAC: (2R,3R)-2,3-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]butanedioic acid.
Chemical Property Profile of Chicoric acid
Property Insights of Chicoric acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chicoric acid. The TPSA of 208.0 Ų indicates high polarity, suggesting Chicoric acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chicoric acid has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chicoric acid?
The CAS number of Chicoric acid is 6537-80-0.
What is the molecular formula of Chicoric acid?
The molecular formula of Chicoric acid is C22H18O12.
What is the molecular weight of Chicoric acid?
The molecular weight of Chicoric acid is 474.08 g/mol.
Where can I buy Chicoric acid?
You can request a quote for Chicoric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chicoric acid?
Yes, KEHONG BIO provides custom synthesis services for Chicoric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.