Methyl chlorogenate
TL;DR: Methyl chlorogenate (CAS 123483-19-2) is a chemical compound with molecular formula C17H20O9 and molecular weight 368.11072 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylate
Also Known As: Methyl chlorogenate, Methylchlorogenate, Methyl (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylate, Cyclohexanecarboxylic acid,3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-,methyl ester, (1S,3R,4R,5R)-, Methyl (1S,3R,4R,5R)-3-((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylate
Technical Specifications
| Molecular Formula | C17H20O9 |
| Molecular Weight | 368.11072 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 154.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.11072 Da |
| Heavy Atoms | 26 |
| Complexity | 548.0 |
| SMILES | COC(=O)[C@@]1(C[C@H]([C@H]([C@@H](C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O)O |
| InChIKey | MZNIJRAPCCELQX-SMKXDYDZSA-N |
Chemical Property Profile of Methyl chlorogenate
Property Insights of Methyl chlorogenate
The XLogP value of -0.1 indicates that Methyl chlorogenate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 154.0 Ų indicates high polarity, suggesting Methyl chlorogenate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl chlorogenate 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 Methyl chlorogenate?
The CAS number of Methyl chlorogenate is 123483-19-2.
What is the molecular formula of Methyl chlorogenate?
The molecular formula of Methyl chlorogenate is C17H20O9.
What is the molecular weight of Methyl chlorogenate?
The molecular weight of Methyl chlorogenate is 368.11072 g/mol.
Where can I buy Methyl chlorogenate?
You can request a quote for Methyl chlorogenate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl chlorogenate?
Yes, CoreyChem provides custom synthesis services for Methyl chlorogenate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.