4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-methoxy-6-methyl-, (S)-
TL;DR: 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-methoxy-6-methyl-, (S)- (CAS 85687-89-4) is a chemical compound with molecular formula C23H26O11 and molecular weight 478.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(3,4-dihydroxyphenyl)-5-methoxy-6-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Also Known As: 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-methoxy-6-methyl-, (S)-, (2S)-2-(3,4-dihydroxyphenyl)-5-methoxy-6-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one, 1,4-Piperazinediethanol, alpha-(4-cyclopentylphenyl)-, (Z)-2-butenedioate (1:2), (2S)-2-(3,4-Dihydroxyphenyl)-5-methoxy-6-methyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl beta-D-glucopyranoside, (2S)-2-(3,4-dihydroxyphenyl)-5-methoxy-6-methyl-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-2,3-dihydrochromen-4-one
| Molecular Formula | C23H26O11 |
|---|---|
| Molecular Weight | 478.15 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.14752 |
| Heavy Atoms | 34 |
| Complexity | 706.0 |
Chemical Identifiers
| CAS Number | 85687-89-4 |
|---|---|
| SMILES | CC1=C(C=C2C(=C1OC)C(=O)C[C@H](O2)C3=CC(=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| InChIKey | DYRNKQIDEAXXHP-FYRBRTNOSA-N |
Product Overview
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-methoxy-6-methyl-, (S)- (CAS 85687-89-4), with molecular formula C23H26O11 and molecular weight 478.15 g/mol. IUPAC: (2S)-2-(3,4-dihydroxyphenyl)-5-methoxy-6-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one.
Chemical Property Profile of 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-methoxy-6-methyl-, (S)-
Property Insights of 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-methoxy-6-methyl-, (S)-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-methoxy-6-methyl-, (S)-. The TPSA of 175.0 Ų indicates high polarity, suggesting 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-methoxy-6-methyl-, (S)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-methoxy-6-methyl-, (S)- has 6 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, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-methoxy-6-methyl-, (S)-?
The CAS number of 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-methoxy-6-methyl-, (S)- is 85687-89-4.
What is the molecular formula of 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-methoxy-6-methyl-, (S)-?
The molecular formula of 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-methoxy-6-methyl-, (S)- is C23H26O11.
What is the molecular weight of 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-methoxy-6-methyl-, (S)-?
The molecular weight of 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-methoxy-6-methyl-, (S)- is 478.15 g/mol.
Where can I buy 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-methoxy-6-methyl-, (S)-?
You can request a quote for 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-methoxy-6-methyl-, (S)- 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, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-methoxy-6-methyl-, (S)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-methoxy-6-methyl-, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.