Oreganol
TL;DR: Oreganol (CAS 20300-50-9) is a chemical compound with molecular formula C20H22O11 and molecular weight 438.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 3,4-dihydroxybenzoate
Also Known As: Odontoside, Oreganol, Protocatechuoyl calleryanin, [3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 3,4-dihydroxybenzoate, J1.978.013I
| Molecular Formula | C20H22O11 |
|---|---|
| Molecular Weight | 438.12 g/mol |
| LogP | -0.6609 |
| Topological Polar Surface Area | 186.37 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.1162 |
| Heavy Atoms | 31 |
| Complexity | 929.3373 |
Chemical Identifiers
| CAS Number | 20300-50-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1COC(=O)C2=CC(=C(C=C2)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
Product Overview
Oreganol (CAS 20300-50-9), with molecular formula C20H22O11 and molecular weight 438.12 g/mol. IUPAC: [3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 3,4-dihydroxybenzoate.
Chemical Property Profile of Oreganol
Property Insights of Oreganol
The XLogP value of -0.6609 indicates that Oreganol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 186.37 Ų indicates high polarity, suggesting Oreganol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oreganol 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 Oreganol?
The CAS number of Oreganol is 20300-50-9.
What is the molecular formula of Oreganol?
The molecular formula of Oreganol is C20H22O11.
What is the molecular weight of Oreganol?
The molecular weight of Oreganol is 438.12 g/mol.
Where can I buy Oreganol?
You can request a quote for Oreganol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oreganol?
Yes, KEHONG BIO provides custom synthesis services for Oreganol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.