2'-Deoxy-3',5'-di-O-acetyl-5-fluoro-3-(3-methylbenzoyl)uridine
TL;DR: 2'-Deoxy-3',5'-di-O-acetyl-5-fluoro-3-(3-methylbenzoyl)uridine (CAS 781-79-3) is a chemical compound with molecular formula C21H21FN2O8 and molecular weight 448.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-3-acetyloxy-5-[5-fluoro-3-(3-methylbenzoyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl acetate
Also Known As: FF 705, 2'-Deoxy-3',5'-di-O-acetyl-5-fluoro-3-(3-methylbenzoyl)uridine, Uridine, 2'-deoxy-5-fluoro-3-(3-methylbenzoyl)-, 3',5'-diacetate, 3',5'-di-O-acetyl-2'-deoxy-5-fluoro-3-(3-methylbenzoyl)uridine, [(2R,3S,5R)-2-(Acetyloxymethyl)-5-[5-Fluoro-3-(3-Methylbenzoyl)-2,4-Dioxopyrimidin-1-Yl]Oxolan-3-Yl] Acetate
| Molecular Formula | C21H21FN2O8 |
|---|---|
| Molecular Weight | 448.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 448.1282 |
| Heavy Atoms | 32 |
| Complexity | 844.0 |
Chemical Identifiers
| CAS Number | 781-79-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)N2C(=O)C(=CN(C2=O)[C@H]3C[C@@H]([C@H](O3)COC(=O)C)OC(=O)C)F |
| InChIKey | IKNZXGXQOQHHJA-RCCFBDPRSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2'-Deoxy-3',5'-di-O-acetyl-5-fluoro-3-(3-methylbenzoyl)uridine (CAS 781-79-3), with molecular formula C21H21FN2O8 and molecular weight 448.13 g/mol. IUPAC: [(2R,3S,5R)-3-acetyloxy-5-[5-fluoro-3-(3-methylbenzoyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl acetate.
Chemical Property Profile of 2'-Deoxy-3',5'-di-O-acetyl-5-fluoro-3-(3-methylbenzoyl)uridine
Property Insights of 2'-Deoxy-3',5'-di-O-acetyl-5-fluoro-3-(3-methylbenzoyl)uridine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-Deoxy-3',5'-di-O-acetyl-5-fluoro-3-(3-methylbenzoyl)uridine. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Deoxy-3',5'-di-O-acetyl-5-fluoro-3-(3-methylbenzoyl)uridine. Following Lipinski's Rule of Five, 2'-Deoxy-3',5'-di-O-acetyl-5-fluoro-3-(3-methylbenzoyl)uridine has 0 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 2'-Deoxy-3',5'-di-O-acetyl-5-fluoro-3-(3-methylbenzoyl)uridine?
The CAS number of 2'-Deoxy-3',5'-di-O-acetyl-5-fluoro-3-(3-methylbenzoyl)uridine is 781-79-3.
What is the molecular formula of 2'-Deoxy-3',5'-di-O-acetyl-5-fluoro-3-(3-methylbenzoyl)uridine?
The molecular formula of 2'-Deoxy-3',5'-di-O-acetyl-5-fluoro-3-(3-methylbenzoyl)uridine is C21H21FN2O8.
What is the molecular weight of 2'-Deoxy-3',5'-di-O-acetyl-5-fluoro-3-(3-methylbenzoyl)uridine?
The molecular weight of 2'-Deoxy-3',5'-di-O-acetyl-5-fluoro-3-(3-methylbenzoyl)uridine is 448.13 g/mol.
Where can I buy 2'-Deoxy-3',5'-di-O-acetyl-5-fluoro-3-(3-methylbenzoyl)uridine?
You can request a quote for 2'-Deoxy-3',5'-di-O-acetyl-5-fluoro-3-(3-methylbenzoyl)uridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Deoxy-3',5'-di-O-acetyl-5-fluoro-3-(3-methylbenzoyl)uridine?
Yes, KEHONG BIO provides custom synthesis services for 2'-Deoxy-3',5'-di-O-acetyl-5-fluoro-3-(3-methylbenzoyl)uridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.