4-Methylumbelliferyl-beta-D-glucoside
TL;DR: 4-Methylumbelliferyl-beta-D-glucoside (CAS 18997-57-4) is a chemical compound with molecular formula C16H18O8 and molecular weight 338.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Also Known As: 4-Methylumbelliferyl glucoside, 4-Methylumbelliferyl-beta-glucoside, 4-Methylumbelliferyl-beta-D-glucoside, 4-methylumbelliferyl b-d-glucopyranoside, 4-methyl-2-oxo-2h-chromen-7-yl d-glucopyranoside
| Molecular Formula | C16H18O8 |
|---|---|
| Molecular Weight | 338.10 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.10016 |
| Heavy Atoms | 24 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 18997-57-4 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChIKey | YUDPTGPSBJVHCN-YJUJGKJLSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylumbelliferyl-beta-D-glucoside (CAS 18997-57-4), with molecular formula C16H18O8 and molecular weight 338.10 g/mol. IUPAC: 4-methyl-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one.
Chemical Property Profile of 4-Methylumbelliferyl-beta-D-glucoside
Property Insights of 4-Methylumbelliferyl-beta-D-glucoside
The XLogP value of -0.8 indicates that 4-Methylumbelliferyl-beta-D-glucoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methylumbelliferyl-beta-D-glucoside. Following Lipinski's Rule of Five, 4-Methylumbelliferyl-beta-D-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-Methylumbelliferyl-beta-D-glucoside?
The CAS number of 4-Methylumbelliferyl-beta-D-glucoside is 18997-57-4.
What is the molecular formula of 4-Methylumbelliferyl-beta-D-glucoside?
The molecular formula of 4-Methylumbelliferyl-beta-D-glucoside is C16H18O8.
What is the molecular weight of 4-Methylumbelliferyl-beta-D-glucoside?
The molecular weight of 4-Methylumbelliferyl-beta-D-glucoside is 338.10 g/mol.
Where can I buy 4-Methylumbelliferyl-beta-D-glucoside?
You can request a quote for 4-Methylumbelliferyl-beta-D-glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylumbelliferyl-beta-D-glucoside?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylumbelliferyl-beta-D-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.