3,4,7-trimethyl-2-oxo-2H-chromen-5-yl beta-D-glucopyranoside
TL;DR: 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl beta-D-glucopyranoside (CAS 956435-53-3) is a chemical compound with molecular formula C18H22O8 and molecular weight 366.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,7-trimethyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Also Known As: EiM07-15922, 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl beta-D-glucopyranoside, 3,4,7-trimethyl-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2H-chromen-2-one, 3,4,7-trimethyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one, 3,4,7-TRIMETHYL-5-{[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-2H-CHROMEN-2-ONE
| Molecular Formula | C18H22O8 |
|---|---|
| Molecular Weight | 366.13 g/mol |
| LogP | -0.10304 |
| Topological Polar Surface Area | 129.59 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.13147 |
| Heavy Atoms | 26 |
| Complexity | 871.60065 |
Chemical Identifiers
| CAS Number | 956435-53-3 |
|---|---|
| SMILES | CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
Product Overview
3,4,7-trimethyl-2-oxo-2H-chromen-5-yl beta-D-glucopyranoside (CAS 956435-53-3), with molecular formula C18H22O8 and molecular weight 366.13 g/mol. IUPAC: 3,4,7-trimethyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one.
Chemical Property Profile of 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl beta-D-glucopyranoside
Property Insights of 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl beta-D-glucopyranoside
The XLogP value of -0.10304 indicates that 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl beta-D-glucopyranoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl beta-D-glucopyranoside. Following Lipinski's Rule of Five, 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl beta-D-glucopyranoside has 4 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 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl beta-D-glucopyranoside?
The CAS number of 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl beta-D-glucopyranoside is 956435-53-3.
What is the molecular formula of 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl beta-D-glucopyranoside?
The molecular formula of 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl beta-D-glucopyranoside is C18H22O8.
What is the molecular weight of 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl beta-D-glucopyranoside?
The molecular weight of 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl beta-D-glucopyranoside is 366.13 g/mol.
Where can I buy 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl beta-D-glucopyranoside?
You can request a quote for 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl beta-D-glucopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl beta-D-glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl beta-D-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.