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Acacetin-7-Glucoside [M+H]+
TL;DR: Acacetin-7-Glucoside [M+H]+ (CAS 4291-60-5) is a chemical compound with molecular formula C22H22O10 and molecular weight 446.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-2-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: Tilianin, Acacetin-7-Glucoside [M+H]+, A2306/0097225, 5-Hydroxy-2-(4-methoxyphenyl)-7-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one, 5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
| Molecular Formula | C22H22O10 |
|---|---|
| Molecular Weight | 446.12 g/mol |
| LogP | 0.3529 |
| Topological Polar Surface Area | 159.05 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.1213 |
| Heavy Atoms | 32 |
| Complexity | 1153.8256 |
Chemical Identifiers
| CAS Number | 4291-60-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O |
Product Overview
Acacetin-7-Glucoside [M+H]+ (CAS 4291-60-5), with molecular formula C22H22O10 and molecular weight 446.12 g/mol. IUPAC: 5-hydroxy-2-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of Acacetin-7-Glucoside [M+H]+
Property Insights of Acacetin-7-Glucoside [M+H]+
The XLogP value of 0.3529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acacetin-7-Glucoside [M+H]+. The TPSA of 159.05 Ų indicates high polarity, suggesting Acacetin-7-Glucoside [M+H]+ may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acacetin-7-Glucoside [M+H]+ has 5 hydrogen bond donor(s) and 10 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 Acacetin-7-Glucoside [M+H]+?
The CAS number of Acacetin-7-Glucoside [M+H]+ is 4291-60-5.
What is the molecular formula of Acacetin-7-Glucoside [M+H]+?
The molecular formula of Acacetin-7-Glucoside [M+H]+ is C22H22O10.
What is the molecular weight of Acacetin-7-Glucoside [M+H]+?
The molecular weight of Acacetin-7-Glucoside [M+H]+ is 446.12 g/mol.
Where can I buy Acacetin-7-Glucoside [M+H]+?
You can request a quote for Acacetin-7-Glucoside [M+H]+ directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acacetin-7-Glucoside [M+H]+?
Yes, KEHONG BIO provides custom synthesis services for Acacetin-7-Glucoside [M+H]+ and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.