3',3'-Difluoro-3'-deoxythymidine
TL;DR: 3',3'-Difluoro-3'-deoxythymidine (CAS 121353-87-5) is a chemical compound with molecular formula C10H12F2N2O4 and molecular weight 262.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,5R)-4,4-difluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: F2dT, 3',3'-Difluoro-3'-deoxythymidine, 3',3'-diFddT, 3'-Deoxy-3',3'-difluorothymidine, 3/',3/'-Difluoro-3/'-deoxythymidine
| Molecular Formula | C10H12F2N2O4 |
|---|---|
| Molecular Weight | 262.08 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.0765 |
| Heavy Atoms | 18 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 121353-87-5 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2CC([C@H](O2)CO)(F)F |
| InChIKey | JQMYGAWECCNTIR-RNFRBKRXSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3',3'-Difluoro-3'-deoxythymidine (CAS 121353-87-5), with molecular formula C10H12F2N2O4 and molecular weight 262.08 g/mol. IUPAC: 1-[(2R,5R)-4,4-difluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of 3',3'-Difluoro-3'-deoxythymidine
Property Insights of 3',3'-Difluoro-3'-deoxythymidine
The XLogP value of -1.4 indicates that 3',3'-Difluoro-3'-deoxythymidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3',3'-Difluoro-3'-deoxythymidine. Following Lipinski's Rule of Five, 3',3'-Difluoro-3'-deoxythymidine has 2 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 3',3'-Difluoro-3'-deoxythymidine?
The CAS number of 3',3'-Difluoro-3'-deoxythymidine is 121353-87-5.
What is the molecular formula of 3',3'-Difluoro-3'-deoxythymidine?
The molecular formula of 3',3'-Difluoro-3'-deoxythymidine is C10H12F2N2O4.
What is the molecular weight of 3',3'-Difluoro-3'-deoxythymidine?
The molecular weight of 3',3'-Difluoro-3'-deoxythymidine is 262.08 g/mol.
Where can I buy 3',3'-Difluoro-3'-deoxythymidine?
You can request a quote for 3',3'-Difluoro-3'-deoxythymidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3',3'-Difluoro-3'-deoxythymidine?
Yes, KEHONG BIO provides custom synthesis services for 3',3'-Difluoro-3'-deoxythymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.