Caftaric Acid
TL;DR: Caftaric Acid (CAS 1234-09-9) is a chemical compound with molecular formula C13H12O9 and molecular weight 312.04813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid
Also Known As: caftaric acid, trans-caftaric acid, Caffeoyltartaric acid, Caffeoyl tartaric acid, Monocaffeoyl tartrate
Technical Specifications
| Molecular Formula | C13H12O9 |
| Molecular Weight | 312.04813 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 162.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 312.04813 Da |
| Heavy Atoms | 22 |
| Complexity | 458.0 |
| SMILES | C1=CC(=C(C=C1/C=C/C(=O)O[C@H]([C@H](C(=O)O)O)C(=O)O)O)O |
| InChIKey | SWGKAHCIOQPKFW-JTNORFRNSA-N |
Chemical Property Profile of Caftaric Acid
Property Insights of Caftaric Acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Caftaric Acid. The TPSA of 162.0 Ų indicates high polarity, suggesting Caftaric Acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Caftaric Acid has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Caftaric Acid?
The CAS number of Caftaric Acid is 1234-09-9.
What is the molecular formula of Caftaric Acid?
The molecular formula of Caftaric Acid is C13H12O9.
What is the molecular weight of Caftaric Acid?
The molecular weight of Caftaric Acid is 312.04813 g/mol.
Where can I buy Caftaric Acid?
You can request a quote for Caftaric Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Caftaric Acid?
Yes, CoreyChem provides custom synthesis services for Caftaric Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.