Acetylgastrodin
TL;DR: Acetylgastrodin (CAS 59252-47-0) is a chemical compound with molecular formula C23H28O12 and molecular weight 496.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(2S,3R,4S,5R,6R)-2,3,4,5-tetraacetyloxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl acetate
Also Known As: Acetylgastrodin, beta-D-Glucopyranoside, 4-((acetyloxy)methyl)phenyl, tetraacetate, [4-[(2S,3R,4S,5R,6R)-2,3,4,5-tetraacetyloxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl acetate, 1,2,3,4-Tetra-O-acetyl-1-C-{4-[(acetyloxy)methyl]phenyl}-beta-D-glucopyranose, RefChem:109154
| Molecular Formula | C23H28O12 |
|---|---|
| Molecular Weight | 496.16 g/mol |
| LogP | 0.6518 |
| Topological Polar Surface Area | 160.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.15808 |
| Heavy Atoms | 35 |
| Complexity | 955.75336 |
Chemical Identifiers
| CAS Number | 59252-47-0 |
|---|---|
| SMILES | CC(=O)OCC1=CC=C(C=C1)[C@@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
Acetylgastrodin (CAS 59252-47-0), with molecular formula C23H28O12 and molecular weight 496.16 g/mol. IUPAC: [4-[(2S,3R,4S,5R,6R)-2,3,4,5-tetraacetyloxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl acetate.
Chemical Property Profile of Acetylgastrodin
Property Insights of Acetylgastrodin
The XLogP value of 0.6518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetylgastrodin. The TPSA of 160.96 Ų indicates high polarity, suggesting Acetylgastrodin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetylgastrodin has 1 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 Acetylgastrodin?
The CAS number of Acetylgastrodin is 59252-47-0.
What is the molecular formula of Acetylgastrodin?
The molecular formula of Acetylgastrodin is C23H28O12.
What is the molecular weight of Acetylgastrodin?
The molecular weight of Acetylgastrodin is 496.16 g/mol.
Where can I buy Acetylgastrodin?
You can request a quote for Acetylgastrodin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylgastrodin?
Yes, KEHONG BIO provides custom synthesis services for Acetylgastrodin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.