Isoquerglanin
TL;DR: Isoquerglanin (CAS 17002-28-7) is a chemical compound with molecular formula C23H28O11 and molecular weight 480.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)oxan-4-yl] 3,4,5-trihydroxybenzoate
Also Known As: Isoquerglanin, [(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)oxan-4-yl] 3,4,5-trihydroxybenzoate, 4-hydroxy-5-methyl-2-(propan-2-yl)phenyl 3-o-(3,4,5-trihydroxybenzoyl)-, A-d-glucopyranoside, 2-Isopropyl-4-hydroxy-5-methylphenyl 3-O-galloyl-beta-D-glucopyranoside
| Molecular Formula | C23H28O11 |
|---|---|
| Molecular Weight | 480.16 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 480.16315 |
| Heavy Atoms | 34 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 17002-28-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1O)C(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O |
| InChIKey | FXEKONTUQLLWJB-JJYSZZJESA-N |
Product Overview
Isoquerglanin (CAS 17002-28-7), with molecular formula C23H28O11 and molecular weight 480.16 g/mol. IUPAC: [(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)oxan-4-yl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Isoquerglanin
Property Insights of Isoquerglanin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquerglanin. The TPSA of 186.0 Ų indicates high polarity, suggesting Isoquerglanin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoquerglanin has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoquerglanin?
The CAS number of Isoquerglanin is 17002-28-7.
What is the molecular formula of Isoquerglanin?
The molecular formula of Isoquerglanin is C23H28O11.
What is the molecular weight of Isoquerglanin?
The molecular weight of Isoquerglanin is 480.16 g/mol.
Where can I buy Isoquerglanin?
You can request a quote for Isoquerglanin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquerglanin?
Yes, KEHONG BIO provides custom synthesis services for Isoquerglanin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.