4'-C-ethynyl-2'-O-acetyl-3',5'-di-O-benzyluridine
TL;DR: 4'-C-ethynyl-2'-O-acetyl-3',5'-di-O-benzyluridine (CAS 233266-84-7) is a chemical compound with molecular formula C27H26N2O7 and molecular weight 490.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-ethynyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] acetate
Also Known As: 4'-C-ethynyl-2'-O-acetyl-3',5'-di-O-benzyluridine, Uridine,4'-C-ethynyl-3',5'-bis-O-(phenylmethyl)-,2'-acetate
| Molecular Formula | C27H26N2O7 |
|---|---|
| Molecular Weight | 490.17 g/mol |
| LogP | 2.1713 |
| Topological Polar Surface Area | 108.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 490.174 |
| Heavy Atoms | 36 |
| Complexity | 1329.7233 |
Chemical Identifiers
| CAS Number | 233266-84-7 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@@H]([C@](O[C@H]1N2C=CC(=O)NC2=O)(COCC3=CC=CC=C3)C#C)OCC4=CC=CC=C4 |
Product Overview
4'-C-ethynyl-2'-O-acetyl-3',5'-di-O-benzyluridine (CAS 233266-84-7), with molecular formula C27H26N2O7 and molecular weight 490.17 g/mol. IUPAC: [(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-ethynyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] acetate.
Chemical Property Profile of 4'-C-ethynyl-2'-O-acetyl-3',5'-di-O-benzyluridine
Property Insights of 4'-C-ethynyl-2'-O-acetyl-3',5'-di-O-benzyluridine
The XLogP value of 2.1713 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-C-ethynyl-2'-O-acetyl-3',5'-di-O-benzyluridine. The TPSA of 108.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-C-ethynyl-2'-O-acetyl-3',5'-di-O-benzyluridine. Following Lipinski's Rule of Five, 4'-C-ethynyl-2'-O-acetyl-3',5'-di-O-benzyluridine has 1 hydrogen bond donor(s) and 7 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'-C-ethynyl-2'-O-acetyl-3',5'-di-O-benzyluridine?
The CAS number of 4'-C-ethynyl-2'-O-acetyl-3',5'-di-O-benzyluridine is 233266-84-7.
What is the molecular formula of 4'-C-ethynyl-2'-O-acetyl-3',5'-di-O-benzyluridine?
The molecular formula of 4'-C-ethynyl-2'-O-acetyl-3',5'-di-O-benzyluridine is C27H26N2O7.
What is the molecular weight of 4'-C-ethynyl-2'-O-acetyl-3',5'-di-O-benzyluridine?
The molecular weight of 4'-C-ethynyl-2'-O-acetyl-3',5'-di-O-benzyluridine is 490.17 g/mol.
Where can I buy 4'-C-ethynyl-2'-O-acetyl-3',5'-di-O-benzyluridine?
You can request a quote for 4'-C-ethynyl-2'-O-acetyl-3',5'-di-O-benzyluridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-C-ethynyl-2'-O-acetyl-3',5'-di-O-benzyluridine?
Yes, KEHONG BIO provides custom synthesis services for 4'-C-ethynyl-2'-O-acetyl-3',5'-di-O-benzyluridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.