6,8-Difluoro-4-methylumbelliferyl beta-d-glucuronide
TL;DR: 6,8-Difluoro-4-methylumbelliferyl beta-d-glucuronide (CAS 215868-36-3) is a chemical compound with molecular formula C16H14F2O9 and molecular weight 388.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(6,8-difluoro-4-methyl-2-oxochromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: 6,8-difluoro-4-methylumbelliferyl beta-d-glucuronide, 6-(6,8-difluoro-4-methyl-2-oxo-chromen-7-yl)oxy-3,4,5-trihydroxy-oxane-2-carboxylic Acid, 6-(6,8-difluoro-4-methyl-2-oxochromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid, (2S,3S,4S,5R,6S)-6-((6,8-difluoro-4-methyl-2-oxo-2H-chromen-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid, (2S,3S,4S,5R,6S)-6-(6,8-difluoro-4-methyl-2-oxochromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
| Molecular Formula | C16H14F2O9 |
|---|---|
| Molecular Weight | 388.06 g/mol |
| LogP | -0.34938 |
| Topological Polar Surface Area | 146.66 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.06058 |
| Heavy Atoms | 27 |
| Complexity | 957.037 |
Chemical Identifiers
| CAS Number | 215868-36-3 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C(C(=C(C=C12)F)OC3C(C(C(C(O3)C(=O)O)O)O)O)F |
Product Overview
6,8-Difluoro-4-methylumbelliferyl beta-d-glucuronide (CAS 215868-36-3), with molecular formula C16H14F2O9 and molecular weight 388.06 g/mol. IUPAC: 6-(6,8-difluoro-4-methyl-2-oxochromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of 6,8-Difluoro-4-methylumbelliferyl beta-d-glucuronide
Property Insights of 6,8-Difluoro-4-methylumbelliferyl beta-d-glucuronide
The XLogP value of -0.34938 indicates that 6,8-Difluoro-4-methylumbelliferyl beta-d-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 6,8-Difluoro-4-methylumbelliferyl beta-d-glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6,8-Difluoro-4-methylumbelliferyl beta-d-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 6,8-Difluoro-4-methylumbelliferyl beta-d-glucuronide?
The CAS number of 6,8-Difluoro-4-methylumbelliferyl beta-d-glucuronide is 215868-36-3.
What is the molecular formula of 6,8-Difluoro-4-methylumbelliferyl beta-d-glucuronide?
The molecular formula of 6,8-Difluoro-4-methylumbelliferyl beta-d-glucuronide is C16H14F2O9.
What is the molecular weight of 6,8-Difluoro-4-methylumbelliferyl beta-d-glucuronide?
The molecular weight of 6,8-Difluoro-4-methylumbelliferyl beta-d-glucuronide is 388.06 g/mol.
Where can I buy 6,8-Difluoro-4-methylumbelliferyl beta-d-glucuronide?
You can request a quote for 6,8-Difluoro-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 6,8-Difluoro-4-methylumbelliferyl beta-d-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for 6,8-Difluoro-4-methylumbelliferyl beta-d-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.