Methyl 1-(5-fluoro-1H-2-oxopyrimidin-4-yl)-beta-D-glucopyranuronate
TL;DR: Methyl 1-(5-fluoro-1H-2-oxopyrimidin-4-yl)-beta-D-glucopyranuronate (CAS 66840-02-6) is a chemical compound with molecular formula C11H13FN2O8 and molecular weight 320.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S,3S,4S,5R,6S)-6-[(5-fluoro-2-oxo-1H-pyrimidin-6-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate
Also Known As: FU-O-G, 5-FU O-beta-D-glucuronide, 5-Fu-O-beta-D-glucuronide, 5-Fluorouracil O-beta-D-glucuronide, 1,2,2,6,6-Pentamethylpiperazine
| Molecular Formula | C11H13FN2O8 |
|---|---|
| Molecular Weight | 320.07 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.06558 |
| Heavy Atoms | 22 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 66840-02-6 |
|---|---|
| SMILES | COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C=NC(=O)N2)F)O)O)O |
| InChIKey | OEAJKPYORNFNEN-XOEVEMGQSA-N |
Product Overview
Methyl 1-(5-fluoro-1H-2-oxopyrimidin-4-yl)-beta-D-glucopyranuronate (CAS 66840-02-6), with molecular formula C11H13FN2O8 and molecular weight 320.07 g/mol. IUPAC: methyl (2S,3S,4S,5R,6S)-6-[(5-fluoro-2-oxo-1H-pyrimidin-6-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate.
Chemical Property Profile of Methyl 1-(5-fluoro-1H-2-oxopyrimidin-4-yl)-beta-D-glucopyranuronate
Property Insights of Methyl 1-(5-fluoro-1H-2-oxopyrimidin-4-yl)-beta-D-glucopyranuronate
The XLogP value of -1.8 indicates that Methyl 1-(5-fluoro-1H-2-oxopyrimidin-4-yl)-beta-D-glucopyranuronate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.0 Ų indicates high polarity, suggesting Methyl 1-(5-fluoro-1H-2-oxopyrimidin-4-yl)-beta-D-glucopyranuronate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 1-(5-fluoro-1H-2-oxopyrimidin-4-yl)-beta-D-glucopyranuronate 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 Methyl 1-(5-fluoro-1H-2-oxopyrimidin-4-yl)-beta-D-glucopyranuronate?
The CAS number of Methyl 1-(5-fluoro-1H-2-oxopyrimidin-4-yl)-beta-D-glucopyranuronate is 66840-02-6.
What is the molecular formula of Methyl 1-(5-fluoro-1H-2-oxopyrimidin-4-yl)-beta-D-glucopyranuronate?
The molecular formula of Methyl 1-(5-fluoro-1H-2-oxopyrimidin-4-yl)-beta-D-glucopyranuronate is C11H13FN2O8.
What is the molecular weight of Methyl 1-(5-fluoro-1H-2-oxopyrimidin-4-yl)-beta-D-glucopyranuronate?
The molecular weight of Methyl 1-(5-fluoro-1H-2-oxopyrimidin-4-yl)-beta-D-glucopyranuronate is 320.07 g/mol.
Where can I buy Methyl 1-(5-fluoro-1H-2-oxopyrimidin-4-yl)-beta-D-glucopyranuronate?
You can request a quote for Methyl 1-(5-fluoro-1H-2-oxopyrimidin-4-yl)-beta-D-glucopyranuronate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-(5-fluoro-1H-2-oxopyrimidin-4-yl)-beta-D-glucopyranuronate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-(5-fluoro-1H-2-oxopyrimidin-4-yl)-beta-D-glucopyranuronate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.