Aloenin B
TL;DR: Aloenin B (CAS 1212075-61-0) is a chemical compound with molecular formula C34H38O17 and molecular weight 718.2109 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(4-methoxy-6-oxopyran-2-yl)-3-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Also Known As: Aloenin B, (2R)-6-Methoxynaringenin, HY-N10422, (2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(4-methoxy-2-oxo-2H-pyran-6-yl)-3-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy]oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate, [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(4-methoxy-6-oxopyran-2-yl)-3-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Technical Specifications
| Molecular Formula | C34H38O17 |
| Molecular Weight | 718.2109 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 261.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 12 |
| Exact Mass | 718.2109 Da |
| Heavy Atoms | 51 |
| Complexity | 1280.0 |
| SMILES | CC1=CC(=CC(=C1C2=CC(=CC(=O)O2)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)/C=C/C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
| InChIKey | IZBGWXJOIXZDBF-WLFSTHIVSA-N |
Chemical Property Profile of Aloenin B
Property Insights of Aloenin B
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aloenin B. The TPSA of 261.0 Ų indicates high polarity, suggesting Aloenin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aloenin B has 8 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Aloenin B?
The CAS number of Aloenin B is 1212075-61-0.
What is the molecular formula of Aloenin B?
The molecular formula of Aloenin B is C34H38O17.
What is the molecular weight of Aloenin B?
The molecular weight of Aloenin B is 718.2109 g/mol.
Where can I buy Aloenin B?
You can request a quote for Aloenin B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Aloenin B?
Yes, CoreyChem provides custom synthesis services for Aloenin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.