Desmethoxycentaureidin
TL;DR: Desmethoxycentaureidin (CAS 22934-99-2) is a chemical compound with molecular formula C17H14O7 and molecular weight 330.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxychromen-4-one
Also Known As: Desmethoxycentaureidin, Demethoxycentaureidin, Desmethoxycentauridin, 5,7,3'-Trihydroxy-6,4'-dimethoxyflavone, HY-N3738
| Molecular Formula | C17H14O7 |
|---|---|
| Molecular Weight | 330.07 g/mol |
| LogP | 2.594 |
| Topological Polar Surface Area | 109.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.07394 |
| Heavy Atoms | 24 |
| Complexity | 988.3761 |
Chemical Identifiers
| CAS Number | 22934-99-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)O |
Product Overview
Desmethoxycentaureidin (CAS 22934-99-2), with molecular formula C17H14O7 and molecular weight 330.07 g/mol. IUPAC: 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxychromen-4-one.
Chemical Property Profile of Desmethoxycentaureidin
Property Insights of Desmethoxycentaureidin
The XLogP value of 2.594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desmethoxycentaureidin. The TPSA of 109.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Desmethoxycentaureidin. Following Lipinski's Rule of Five, Desmethoxycentaureidin has 3 hydrogen bond donor(s) and 7 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 Desmethoxycentaureidin?
The CAS number of Desmethoxycentaureidin is 22934-99-2.
What is the molecular formula of Desmethoxycentaureidin?
The molecular formula of Desmethoxycentaureidin is C17H14O7.
What is the molecular weight of Desmethoxycentaureidin?
The molecular weight of Desmethoxycentaureidin is 330.07 g/mol.
Where can I buy Desmethoxycentaureidin?
You can request a quote for Desmethoxycentaureidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desmethoxycentaureidin?
Yes, KEHONG BIO provides custom synthesis services for Desmethoxycentaureidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.