4-Methylumbelliferyl glucuronide
TL;DR: 4-Methylumbelliferyl glucuronide (CAS 67968-37-0) 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.
3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid
Also Known As: 4-Methylumbelliferyl glucuronide, 4-Methylumbelliferyl iduronide, Methyl 3-chloro-4-fluorobenzoate, 4-Methylumbelliferyl a-L-iduronide, 4-Methylumbelliferyl-beta-D-glucuronide
| Molecular Formula | C16H16O9 |
|---|---|
| Molecular Weight | 352.08 g/mol |
| LogP | -0.62758 |
| Topological Polar Surface Area | 146.66 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.07944 |
| Heavy Atoms | 25 |
| Complexity | 858.2945 |
Chemical Identifiers
| CAS Number | 67968-37-0 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)C(=O)O)O)O)O |
Product Overview
4-Methylumbelliferyl glucuronide (CAS 67968-37-0), with molecular formula C16H16O9 and molecular weight 352.08 g/mol. IUPAC: 3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid.
Chemical Property Profile of 4-Methylumbelliferyl glucuronide
Property Insights of 4-Methylumbelliferyl glucuronide
The XLogP value of -0.62758 indicates that 4-Methylumbelliferyl glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.66 Ų indicates high polarity, suggesting 4-Methylumbelliferyl glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Methylumbelliferyl glucuronide 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 glucuronide?
The CAS number of 4-Methylumbelliferyl glucuronide is 67968-37-0.
What is the molecular formula of 4-Methylumbelliferyl glucuronide?
The molecular formula of 4-Methylumbelliferyl glucuronide is C16H16O9.
What is the molecular weight of 4-Methylumbelliferyl glucuronide?
The molecular weight of 4-Methylumbelliferyl glucuronide is 352.08 g/mol.
Where can I buy 4-Methylumbelliferyl glucuronide?
You can request a quote for 4-Methylumbelliferyl 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 glucuronide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylumbelliferyl glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.