Herbacetin 3,7,8-trimethyl ether
TL;DR: Herbacetin 3,7,8-trimethyl ether (CAS 6586-29-4) is a chemical compound with molecular formula C18H16O7 and molecular weight 344.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethoxychromen-4-one
Also Known As: Herbacetin 3,7,8-trimethyl ether, 5,4'-Dihydroxy-3,7,8-trimethoxyflavone, 4',5-Dihydroxy-3,7,8-trimethoxy-flavone, 4 ,5-Dihydroxy-3,7,8-trimethoxyflavone, 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethoxy-
| Molecular Formula | C18H16O7 |
|---|---|
| Molecular Weight | 344.09 g/mol |
| LogP | 2.897 |
| Topological Polar Surface Area | 98.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.0896 |
| Heavy Atoms | 25 |
| Complexity | 987.2077 |
Chemical Identifiers
| CAS Number | 6586-29-4 |
|---|---|
| SMILES | COC1=C(C2=C(C(=C1)O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC)OC |
Product Overview
Herbacetin 3,7,8-trimethyl ether (CAS 6586-29-4), with molecular formula C18H16O7 and molecular weight 344.09 g/mol. IUPAC: 5-hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethoxychromen-4-one.
Chemical Property Profile of Herbacetin 3,7,8-trimethyl ether
Property Insights of Herbacetin 3,7,8-trimethyl ether
The XLogP value of 2.897 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Herbacetin 3,7,8-trimethyl ether. The TPSA of 98.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Herbacetin 3,7,8-trimethyl ether. Following Lipinski's Rule of Five, Herbacetin 3,7,8-trimethyl ether has 2 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 Herbacetin 3,7,8-trimethyl ether?
The CAS number of Herbacetin 3,7,8-trimethyl ether is 6586-29-4.
What is the molecular formula of Herbacetin 3,7,8-trimethyl ether?
The molecular formula of Herbacetin 3,7,8-trimethyl ether is C18H16O7.
What is the molecular weight of Herbacetin 3,7,8-trimethyl ether?
The molecular weight of Herbacetin 3,7,8-trimethyl ether is 344.09 g/mol.
Where can I buy Herbacetin 3,7,8-trimethyl ether?
You can request a quote for Herbacetin 3,7,8-trimethyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Herbacetin 3,7,8-trimethyl ether?
Yes, KEHONG BIO provides custom synthesis services for Herbacetin 3,7,8-trimethyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.