4-Heptylumbelliferyl-beta-glucoside
TL;DR: 4-Heptylumbelliferyl-beta-glucoside (CAS 100444-19-7) is a chemical compound with molecular formula C22H30O8 and molecular weight 422.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-heptyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Also Known As: C7-Uglc, 4-Heptylumbelliferyl-beta-glucoside, 2-dimethylamino-6-picoline N-oxide, 4-heptyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one, 7-(beta-D-glucopyranosyloxy)-4-heptyl-2H-1-benzopyran-2-one
| Molecular Formula | C22H30O8 |
|---|---|
| Molecular Weight | 422.19 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 422.19406 |
| Heavy Atoms | 30 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 100444-19-7 |
|---|---|
| SMILES | CCCCCCCC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChIKey | MDSVWUIXWSZDSC-MIUGBVLSSA-N |
Product Overview
4-Heptylumbelliferyl-beta-glucoside (CAS 100444-19-7), with molecular formula C22H30O8 and molecular weight 422.19 g/mol. IUPAC: 4-heptyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one.
Chemical Property Profile of 4-Heptylumbelliferyl-beta-glucoside
Property Insights of 4-Heptylumbelliferyl-beta-glucoside
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Heptylumbelliferyl-beta-glucoside. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Heptylumbelliferyl-beta-glucoside. Following Lipinski's Rule of Five, 4-Heptylumbelliferyl-beta-glucoside 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 4-Heptylumbelliferyl-beta-glucoside?
The CAS number of 4-Heptylumbelliferyl-beta-glucoside is 100444-19-7.
What is the molecular formula of 4-Heptylumbelliferyl-beta-glucoside?
The molecular formula of 4-Heptylumbelliferyl-beta-glucoside is C22H30O8.
What is the molecular weight of 4-Heptylumbelliferyl-beta-glucoside?
The molecular weight of 4-Heptylumbelliferyl-beta-glucoside is 422.19 g/mol.
Where can I buy 4-Heptylumbelliferyl-beta-glucoside?
You can request a quote for 4-Heptylumbelliferyl-beta-glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Heptylumbelliferyl-beta-glucoside?
Yes, KEHONG BIO provides custom synthesis services for 4-Heptylumbelliferyl-beta-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.