1-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)thymine
TL;DR: 1-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)thymine (CAS 132776-20-6) is a chemical compound with molecular formula C17H16F2N2O5 and molecular weight 366.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5R)-3,4-difluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
Also Known As: 2',3'-F-arabino nucleoside, Fluorinated Sugar Analog, 1-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)thymine, 1-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-.beta.-D-arabinofuranosyl)thymine, [(2R,3R,4R,5R)-3,4-difluoro-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl benzoate
| Molecular Formula | C17H16F2N2O5 |
|---|---|
| Molecular Weight | 366.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.10272 |
| Heavy Atoms | 26 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 132776-20-6 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)F)F |
| InChIKey | BQAZBEVMDFZUOP-GUIRCDHDSA-N |
Product Overview
1-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)thymine (CAS 132776-20-6), with molecular formula C17H16F2N2O5 and molecular weight 366.10 g/mol. IUPAC: [(2R,3R,4R,5R)-3,4-difluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate.
Chemical Property Profile of 1-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)thymine
Property Insights of 1-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)thymine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)thymine. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)thymine. Following Lipinski's Rule of Five, 1-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)thymine 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 1-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)thymine?
The CAS number of 1-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)thymine is 132776-20-6.
What is the molecular formula of 1-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)thymine?
The molecular formula of 1-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)thymine is C17H16F2N2O5.
What is the molecular weight of 1-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)thymine?
The molecular weight of 1-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)thymine is 366.10 g/mol.
Where can I buy 1-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)thymine?
You can request a quote for 1-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)thymine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)thymine?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.