5-(Carboxy(hydroxy)methyl)uridine methyl ester
TL;DR: 5-(Carboxy(hydroxy)methyl)uridine methyl ester (CAS 945684-13-9) is a chemical compound with molecular formula C12H16N2O9 and molecular weight 332.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-hydroxyacetate
Also Known As: Chmu-methyl ester, 5-(Carboxy uridinemethylester, 5-(carboxyhydroxymethyl)uridine methyl ester, 5-(Carboxy(hydroxy)methyl)uridine methyl ester, 5-(1-hydroxy)(methoxycarbonyl)methyluridine
| Molecular Formula | C12H16N2O9 |
|---|---|
| Molecular Weight | 332.09 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.08557 |
| Heavy Atoms | 23 |
| Complexity | 549.0 |
Chemical Identifiers
| CAS Number | 945684-13-9 |
|---|---|
| SMILES | COC(=O)C(C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O |
| InChIKey | JNVLKTZUCGRYNN-LQGIRWEJSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(Carboxy(hydroxy)methyl)uridine methyl ester (CAS 945684-13-9), with molecular formula C12H16N2O9 and molecular weight 332.09 g/mol. IUPAC: methyl 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-hydroxyacetate.
Chemical Property Profile of 5-(Carboxy(hydroxy)methyl)uridine methyl ester
Property Insights of 5-(Carboxy(hydroxy)methyl)uridine methyl ester
The XLogP value of -2.2 indicates that 5-(Carboxy(hydroxy)methyl)uridine methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.0 Ų indicates high polarity, suggesting 5-(Carboxy(hydroxy)methyl)uridine methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(Carboxy(hydroxy)methyl)uridine methyl ester has 5 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 5-(Carboxy(hydroxy)methyl)uridine methyl ester?
The CAS number of 5-(Carboxy(hydroxy)methyl)uridine methyl ester is 945684-13-9.
What is the molecular formula of 5-(Carboxy(hydroxy)methyl)uridine methyl ester?
The molecular formula of 5-(Carboxy(hydroxy)methyl)uridine methyl ester is C12H16N2O9.
What is the molecular weight of 5-(Carboxy(hydroxy)methyl)uridine methyl ester?
The molecular weight of 5-(Carboxy(hydroxy)methyl)uridine methyl ester is 332.09 g/mol.
Where can I buy 5-(Carboxy(hydroxy)methyl)uridine methyl ester?
You can request a quote for 5-(Carboxy(hydroxy)methyl)uridine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Carboxy(hydroxy)methyl)uridine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-(Carboxy(hydroxy)methyl)uridine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.