Methyl-Hesperidin
TL;DR: Methyl-Hesperidin (CAS 11013-97-1) is a chemical compound with molecular formula C29H38O16 and molecular weight 642.216 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one;methanol
Also Known As: Methyl-Hesperidin
Technical Specifications
| Molecular Formula | C29H38O16 |
| Molecular Weight | 642.216 g/mol |
| XLogP | -1.55 |
| Topological Polar Surface Area (TPSA) | 255.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Exact Mass | 642.216 Da |
| Heavy Atoms | 45 |
| Complexity | 942.0 |
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O.CO |
| InChIKey | MAIBMIOACGWPBK-QTTJGSJSSA-N |
Chemical Property Profile of Methyl-Hesperidin
Property Insights of Methyl-Hesperidin
The XLogP value of -1.55 indicates that Methyl-Hesperidin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 255.0 Ų indicates high polarity, suggesting Methyl-Hesperidin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl-Hesperidin has 9 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Methyl-Hesperidin?
The CAS number of Methyl-Hesperidin is 11013-97-1.
What is the molecular formula of Methyl-Hesperidin?
The molecular formula of Methyl-Hesperidin is C29H38O16.
What is the molecular weight of Methyl-Hesperidin?
The molecular weight of Methyl-Hesperidin is 642.216 g/mol.
Where can I buy Methyl-Hesperidin?
You can request a quote for Methyl-Hesperidin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl-Hesperidin?
Yes, CoreyChem provides custom synthesis services for Methyl-Hesperidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.