1-(2-Deoxy-2-fluoro-3-O-mesyl-5-O-trityl-beta-D-arabinofuranosyl)thymine
TL;DR: 1-(2-Deoxy-2-fluoro-3-O-mesyl-5-O-trityl-beta-D-arabinofuranosyl)thymine (CAS 128114-98-7) is a chemical compound with molecular formula C30H29FN2O7S and molecular weight 580.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5R)-4-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] methanesulfonate
Also Known As: Fluorinated Sugar Analog, 3'-O-Mesyl-5'-O-trityl-FMAU, 1-(2-Deoxy-2-fluoro-3-O-mesyl-5-O-trityl-beta-D-arabinofuranosyl)thymine, 1-(2-Deoxy-2-fluoro-3-O-mesyl-5-O-trityl-.beta.-D-arabinofuranosyl)thymine, [(2R,3R,4S,5R)-4-fluoro-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2-(trityloxymethyl)tetrahydrofuran-3-yl] methanesulfonate
| Molecular Formula | C30H29FN2O7S |
|---|---|
| Molecular Weight | 580.17 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 580.16797 |
| Heavy Atoms | 41 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 128114-98-7 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OS(=O)(=O)C)F |
| InChIKey | UAARHHOLHGXMMT-IYOUEGCASA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Deoxy-2-fluoro-3-O-mesyl-5-O-trityl-beta-D-arabinofuranosyl)thymine (CAS 128114-98-7), with molecular formula C30H29FN2O7S and molecular weight 580.17 g/mol. IUPAC: [(2R,3R,4S,5R)-4-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] methanesulfonate.
Chemical Property Profile of 1-(2-Deoxy-2-fluoro-3-O-mesyl-5-O-trityl-beta-D-arabinofuranosyl)thymine
Property Insights of 1-(2-Deoxy-2-fluoro-3-O-mesyl-5-O-trityl-beta-D-arabinofuranosyl)thymine
The XLogP value of 3.9 indicates that 1-(2-Deoxy-2-fluoro-3-O-mesyl-5-O-trityl-beta-D-arabinofuranosyl)thymine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Deoxy-2-fluoro-3-O-mesyl-5-O-trityl-beta-D-arabinofuranosyl)thymine. Following Lipinski's Rule of Five, 1-(2-Deoxy-2-fluoro-3-O-mesyl-5-O-trityl-beta-D-arabinofuranosyl)thymine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-Deoxy-2-fluoro-3-O-mesyl-5-O-trityl-beta-D-arabinofuranosyl)thymine?
The CAS number of 1-(2-Deoxy-2-fluoro-3-O-mesyl-5-O-trityl-beta-D-arabinofuranosyl)thymine is 128114-98-7.
What is the molecular formula of 1-(2-Deoxy-2-fluoro-3-O-mesyl-5-O-trityl-beta-D-arabinofuranosyl)thymine?
The molecular formula of 1-(2-Deoxy-2-fluoro-3-O-mesyl-5-O-trityl-beta-D-arabinofuranosyl)thymine is C30H29FN2O7S.
What is the molecular weight of 1-(2-Deoxy-2-fluoro-3-O-mesyl-5-O-trityl-beta-D-arabinofuranosyl)thymine?
The molecular weight of 1-(2-Deoxy-2-fluoro-3-O-mesyl-5-O-trityl-beta-D-arabinofuranosyl)thymine is 580.17 g/mol.
Where can I buy 1-(2-Deoxy-2-fluoro-3-O-mesyl-5-O-trityl-beta-D-arabinofuranosyl)thymine?
You can request a quote for 1-(2-Deoxy-2-fluoro-3-O-mesyl-5-O-trityl-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-(2-Deoxy-2-fluoro-3-O-mesyl-5-O-trityl-beta-D-arabinofuranosyl)thymine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Deoxy-2-fluoro-3-O-mesyl-5-O-trityl-beta-D-arabinofuranosyl)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.