4-Methylumbelliferyl beta-D-glucuronide
TL;DR: 4-Methylumbelliferyl beta-D-glucuronide (CAS 6160-80-1) is a chemical compound with molecular formula C16H16O9 and molecular weight 352.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid
Also Known As: MUG trihydrate, 4-Methylumbelliferyl-beta-D-glucuronide, hymecromone glucuronide, 4-Methylumbelliferyl glucuronide, GlcUA
| Molecular Formula | C16H16O9 |
|---|---|
| Molecular Weight | 352.08 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.07944 |
| Heavy Atoms | 25 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 6160-80-1 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O |
| InChIKey | ARQXEQLMMNGFDU-JHZZJYKESA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylumbelliferyl beta-D-glucuronide (CAS 6160-80-1), with molecular formula C16H16O9 and molecular weight 352.08 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid.
Chemical Property Profile of 4-Methylumbelliferyl beta-D-glucuronide
Property Insights of 4-Methylumbelliferyl beta-D-glucuronide
The XLogP value of -0.5 indicates that 4-Methylumbelliferyl beta-D-glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting 4-Methylumbelliferyl beta-D-glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Methylumbelliferyl beta-D-glucuronide has 4 hydrogen bond donor(s) and 9 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-glucuronide?
The CAS number of 4-Methylumbelliferyl beta-D-glucuronide is 6160-80-1.
What is the molecular formula of 4-Methylumbelliferyl beta-D-glucuronide?
The molecular formula of 4-Methylumbelliferyl beta-D-glucuronide is C16H16O9.
What is the molecular weight of 4-Methylumbelliferyl beta-D-glucuronide?
The molecular weight of 4-Methylumbelliferyl beta-D-glucuronide is 352.08 g/mol.
Where can I buy 4-Methylumbelliferyl beta-D-glucuronide?
You can request a quote for 4-Methylumbelliferyl beta-D-glucuronide 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-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylumbelliferyl beta-D-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.