Thymidine, 3'-deoxy-3'-fluoro-, 5'-acetate
TL;DR: Thymidine, 3'-deoxy-3'-fluoro-, 5'-acetate (CAS 51247-07-5) is a chemical compound with molecular formula C12H15FN2O5 and molecular weight 286.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
Also Known As: Acetyl-FLT, Fluorinated Sugar Analog, 5'-O-Acetyl-3'-deoxy-3'-fluorothymidine, Thymidine, 3'-deoxy-3'-fluoro-, 5'-acetate, 3'-Deoxy-3'-fluoro-5'-O-acetylthymidine
| Molecular Formula | C12H15FN2O5 |
|---|---|
| Molecular Weight | 286.10 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.0965 |
| Heavy Atoms | 20 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 51247-07-5 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)C)F |
| InChIKey | YHHMPZAORRCRSI-IVZWLZJFSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thymidine, 3'-deoxy-3'-fluoro-, 5'-acetate (CAS 51247-07-5), with molecular formula C12H15FN2O5 and molecular weight 286.10 g/mol. IUPAC: [(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate.
Chemical Property Profile of Thymidine, 3'-deoxy-3'-fluoro-, 5'-acetate
Property Insights of Thymidine, 3'-deoxy-3'-fluoro-, 5'-acetate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thymidine, 3'-deoxy-3'-fluoro-, 5'-acetate. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Thymidine, 3'-deoxy-3'-fluoro-, 5'-acetate. Following Lipinski's Rule of Five, Thymidine, 3'-deoxy-3'-fluoro-, 5'-acetate has 1 hydrogen bond donor(s) and 6 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 Thymidine, 3'-deoxy-3'-fluoro-, 5'-acetate?
The CAS number of Thymidine, 3'-deoxy-3'-fluoro-, 5'-acetate is 51247-07-5.
What is the molecular formula of Thymidine, 3'-deoxy-3'-fluoro-, 5'-acetate?
The molecular formula of Thymidine, 3'-deoxy-3'-fluoro-, 5'-acetate is C12H15FN2O5.
What is the molecular weight of Thymidine, 3'-deoxy-3'-fluoro-, 5'-acetate?
The molecular weight of Thymidine, 3'-deoxy-3'-fluoro-, 5'-acetate is 286.10 g/mol.
Where can I buy Thymidine, 3'-deoxy-3'-fluoro-, 5'-acetate?
You can request a quote for Thymidine, 3'-deoxy-3'-fluoro-, 5'-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymidine, 3'-deoxy-3'-fluoro-, 5'-acetate?
Yes, KEHONG BIO provides custom synthesis services for Thymidine, 3'-deoxy-3'-fluoro-, 5'-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.