Onitinoside
TL;DR: Onitinoside (CAS 82871-92-9) is a chemical compound with molecular formula C21H30O8 and molecular weight 410.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-inden-1-one
Also Known As: Onitinoside, 1H-Inden-1-one, 4-(beta-D-glucopyranosyloxy)-2,3-dihydro-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-, 6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-inden-1-one, 1h-inden-1-one, 4-(, A-d-glucopyranosyloxy)-2,3-dihydro-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-
| Molecular Formula | C21H30O8 |
|---|---|
| Molecular Weight | 410.19 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.19406 |
| Heavy Atoms | 29 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 82871-92-9 |
|---|---|
| SMILES | CC1=C(C(=C(C2=C1C(=O)C(C2)(C)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C)CCO |
| InChIKey | CLZGEWQFWIBQEP-RGCXKDKSSA-N |
Product Overview
Onitinoside (CAS 82871-92-9), with molecular formula C21H30O8 and molecular weight 410.19 g/mol. IUPAC: 6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-inden-1-one.
Chemical Property Profile of Onitinoside
Property Insights of Onitinoside
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Onitinoside. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Onitinoside. Following Lipinski's Rule of Five, Onitinoside has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Onitinoside?
The CAS number of Onitinoside is 82871-92-9.
What is the molecular formula of Onitinoside?
The molecular formula of Onitinoside is C21H30O8.
What is the molecular weight of Onitinoside?
The molecular weight of Onitinoside is 410.19 g/mol.
Where can I buy Onitinoside?
You can request a quote for Onitinoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Onitinoside?
Yes, KEHONG BIO provides custom synthesis services for Onitinoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.