Gluco-Obtusifolin
TL;DR: Gluco-Obtusifolin (CAS 120163-18-0) is a chemical compound with molecular formula C22H22O10 and molecular weight 446.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-hydroxy-1-methoxy-3-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
Also Known As: Obtusifolin 2-glucoside, gluco-obtusifolin, Obtusifolin-2-O-glucoside, obtusifolin-2-glucoside, OBTUSIFOLIN 2-O-BETA-D-GLUCOSIDE
| Molecular Formula | C22H22O10 |
|---|---|
| Molecular Weight | 446.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.1213 |
| Heavy Atoms | 32 |
| Complexity | 715.0 |
Chemical Identifiers
| CAS Number | 120163-18-0 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC)C(=O)C4=C(C2=O)C=CC=C4O |
| InChIKey | JMDQOFZFOJHOMU-UJPYTVAASA-N |
Product Overview
Gluco-Obtusifolin (CAS 120163-18-0), with molecular formula C22H22O10 and molecular weight 446.12 g/mol. IUPAC: 8-hydroxy-1-methoxy-3-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione.
Chemical Property Profile of Gluco-Obtusifolin
Property Insights of Gluco-Obtusifolin
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gluco-Obtusifolin. The TPSA of 163.0 Ų indicates high polarity, suggesting Gluco-Obtusifolin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gluco-Obtusifolin has 5 hydrogen bond donor(s) and 10 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 Gluco-Obtusifolin?
The CAS number of Gluco-Obtusifolin is 120163-18-0.
What is the molecular formula of Gluco-Obtusifolin?
The molecular formula of Gluco-Obtusifolin is C22H22O10.
What is the molecular weight of Gluco-Obtusifolin?
The molecular weight of Gluco-Obtusifolin is 446.12 g/mol.
Where can I buy Gluco-Obtusifolin?
You can request a quote for Gluco-Obtusifolin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gluco-Obtusifolin?
Yes, KEHONG BIO provides custom synthesis services for Gluco-Obtusifolin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.