alpha,alpha-Difluorothymidine
TL;DR: alpha,alpha-Difluorothymidine (CAS 101527-46-2) is a chemical compound with molecular formula C10H12F2N2O5 and molecular weight 278.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(difluoromethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: alpha,alpha-Difluorothymidine, F2-Tdr, 5-Difluoromethyl-2'-deoxyuridine, Thymidine, alpha,alpha-difluoro-, 2'-Deoxy-5-difluoromethyluridine
| Molecular Formula | C10H12F2N2O5 |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.07144 |
| Heavy Atoms | 19 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 101527-46-2 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(F)F)CO)O |
| InChIKey | YATQDPXPMDMPID-RRKCRQDMSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha,alpha-Difluorothymidine (CAS 101527-46-2), with molecular formula C10H12F2N2O5 and molecular weight 278.07 g/mol. IUPAC: 5-(difluoromethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of alpha,alpha-Difluorothymidine
Property Insights of alpha,alpha-Difluorothymidine
The XLogP value of -0.9 indicates that alpha,alpha-Difluorothymidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha,alpha-Difluorothymidine. Following Lipinski's Rule of Five, alpha,alpha-Difluorothymidine has 3 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 alpha,alpha-Difluorothymidine?
The CAS number of alpha,alpha-Difluorothymidine is 101527-46-2.
What is the molecular formula of alpha,alpha-Difluorothymidine?
The molecular formula of alpha,alpha-Difluorothymidine is C10H12F2N2O5.
What is the molecular weight of alpha,alpha-Difluorothymidine?
The molecular weight of alpha,alpha-Difluorothymidine is 278.07 g/mol.
Where can I buy alpha,alpha-Difluorothymidine?
You can request a quote for alpha,alpha-Difluorothymidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha,alpha-Difluorothymidine?
Yes, KEHONG BIO provides custom synthesis services for alpha,alpha-Difluorothymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.