5-Demethylnobiletin
TL;DR: 5-Demethylnobiletin (CAS 2174-59-6) is a chemical compound with molecular formula C20H20O8 and molecular weight 388.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxychromen-4-one
Also Known As: Demethylnobiletin, 5-Demethylnobiletin, 5-O-Demethylnobiletin, 5-O-Desmethylnobiletin, desmethylnobiletin
| Molecular Formula | C20H20O8 |
|---|---|
| Molecular Weight | 388.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.1158 |
| Heavy Atoms | 28 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 2174-59-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC |
| InChIKey | DOFJNFPSMUCECH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Demethylnobiletin (CAS 2174-59-6), with molecular formula C20H20O8 and molecular weight 388.12 g/mol. IUPAC: 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxychromen-4-one.
Chemical Property Profile of 5-Demethylnobiletin
Property Insights of 5-Demethylnobiletin
The XLogP value of 3.2 indicates that 5-Demethylnobiletin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Demethylnobiletin. Following Lipinski's Rule of Five, 5-Demethylnobiletin has 1 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 5-Demethylnobiletin?
The CAS number of 5-Demethylnobiletin is 2174-59-6.
What is the molecular formula of 5-Demethylnobiletin?
The molecular formula of 5-Demethylnobiletin is C20H20O8.
What is the molecular weight of 5-Demethylnobiletin?
The molecular weight of 5-Demethylnobiletin is 388.12 g/mol.
Where can I buy 5-Demethylnobiletin?
You can request a quote for 5-Demethylnobiletin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Demethylnobiletin?
Yes, KEHONG BIO provides custom synthesis services for 5-Demethylnobiletin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.