4H-1-Benzopyran-4-one, 7-((2(or 6)-O-acetyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-
TL;DR: 4H-1-Benzopyran-4-one, 7-((2(or 6)-O-acetyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)- (CAS 79080-62-9) is a chemical compound with molecular formula C23H24O12 and molecular weight 492.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: 4H-1-Benzopyran-4-one, 7-((2(or 6)-O-acetyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-, Acetic acid--5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranoside (1/1), Acetic acid--5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl hexopyranoside (1/1), acetic acid; 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one, acetic acid; 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
| Molecular Formula | C23H24O12 |
|---|---|
| Molecular Weight | 492.13 g/mol |
| LogP | 0.1408 |
| Topological Polar Surface Area | 207.35 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 492.12677 |
| Heavy Atoms | 35 |
| Complexity | 1229.7206 |
Chemical Identifiers
| CAS Number | 79080-62-9 |
|---|---|
| SMILES | CC(=O)O.C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O |
Product Overview
4H-1-Benzopyran-4-one, 7-((2(or 6)-O-acetyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)- (CAS 79080-62-9), with molecular formula C23H24O12 and molecular weight 492.13 g/mol. IUPAC: acetic acid;5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of 4H-1-Benzopyran-4-one, 7-((2(or 6)-O-acetyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-
Property Insights of 4H-1-Benzopyran-4-one, 7-((2(or 6)-O-acetyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-
The XLogP value of 0.1408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1-Benzopyran-4-one, 7-((2(or 6)-O-acetyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-. The TPSA of 207.35 Ų indicates high polarity, suggesting 4H-1-Benzopyran-4-one, 7-((2(or 6)-O-acetyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4H-1-Benzopyran-4-one, 7-((2(or 6)-O-acetyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)- has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4H-1-Benzopyran-4-one, 7-((2(or 6)-O-acetyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-?
The CAS number of 4H-1-Benzopyran-4-one, 7-((2(or 6)-O-acetyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)- is 79080-62-9.
What is the molecular formula of 4H-1-Benzopyran-4-one, 7-((2(or 6)-O-acetyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-?
The molecular formula of 4H-1-Benzopyran-4-one, 7-((2(or 6)-O-acetyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)- is C23H24O12.
What is the molecular weight of 4H-1-Benzopyran-4-one, 7-((2(or 6)-O-acetyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-?
The molecular weight of 4H-1-Benzopyran-4-one, 7-((2(or 6)-O-acetyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)- is 492.13 g/mol.
Where can I buy 4H-1-Benzopyran-4-one, 7-((2(or 6)-O-acetyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-?
You can request a quote for 4H-1-Benzopyran-4-one, 7-((2(or 6)-O-acetyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1-Benzopyran-4-one, 7-((2(or 6)-O-acetyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzopyran-4-one, 7-((2(or 6)-O-acetyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.