1-Caffeoylglycerol
TL;DR: 1-Caffeoylglycerol (CAS 123134-23-6) is a chemical compound with molecular formula C12H14O6 and molecular weight 254.07904 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-dihydroxypropyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: caffeoylglyceride, 1-Caffeoylglycerol, 1-O-Caffeoylglycerol, Glyceryl monocaffeate, (S,R)-1-O-caffeoylglycerol
Technical Specifications
| Molecular Formula | C12H14O6 |
| Molecular Weight | 254.07904 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.07904 Da |
| Heavy Atoms | 18 |
| Complexity | 290.0 |
| SMILES | C1=CC(=C(C=C1/C=C/C(=O)OCC(CO)O)O)O |
| InChIKey | NOHROAYVCRHDHO-DUXPYHPUSA-N |
Chemical Property Profile of 1-Caffeoylglycerol
Property Insights of 1-Caffeoylglycerol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Caffeoylglycerol. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Caffeoylglycerol. Following Lipinski's Rule of Five, 1-Caffeoylglycerol has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Caffeoylglycerol?
The CAS number of 1-Caffeoylglycerol is 123134-23-6.
What is the molecular formula of 1-Caffeoylglycerol?
The molecular formula of 1-Caffeoylglycerol is C12H14O6.
What is the molecular weight of 1-Caffeoylglycerol?
The molecular weight of 1-Caffeoylglycerol is 254.07904 g/mol.
Where can I buy 1-Caffeoylglycerol?
You can request a quote for 1-Caffeoylglycerol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Caffeoylglycerol?
Yes, CoreyChem provides custom synthesis services for 1-Caffeoylglycerol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.