3'-Demethylnobiletin
TL;DR: 3'-Demethylnobiletin (CAS 112448-39-2) 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-hydroxy-4-methoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one
Also Known As: 3'-Demethylnobiletin, 3-Demethylnobiletin, 3'-hydroxy-5,6,7,8,4'-pentamethoxyflavone, 3 -Demethylnobiletin, 3'-Hydroxy-4',5,6,7,8-pentamethoxyflavone
| Molecular Formula | C20H20O8 |
|---|---|
| Molecular Weight | 388.12 g/mol |
| LogP | 2.7 |
| 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 | 112448-39-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)O |
| InChIKey | XFYYZBJXMSDKCV-UHFFFAOYSA-N |
Product Overview
3'-Demethylnobiletin (CAS 112448-39-2), with molecular formula C20H20O8 and molecular weight 388.12 g/mol. IUPAC: 2-(3-hydroxy-4-methoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one.
Chemical Property Profile of 3'-Demethylnobiletin
Property Insights of 3'-Demethylnobiletin
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Demethylnobiletin. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Demethylnobiletin. Following Lipinski's Rule of Five, 3'-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 3'-Demethylnobiletin?
The CAS number of 3'-Demethylnobiletin is 112448-39-2.
What is the molecular formula of 3'-Demethylnobiletin?
The molecular formula of 3'-Demethylnobiletin is C20H20O8.
What is the molecular weight of 3'-Demethylnobiletin?
The molecular weight of 3'-Demethylnobiletin is 388.12 g/mol.
Where can I buy 3'-Demethylnobiletin?
You can request a quote for 3'-Demethylnobiletin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Demethylnobiletin?
Yes, KEHONG BIO provides custom synthesis services for 3'-Demethylnobiletin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.