Thymidine, alpha,alpha,alpha-trifluoro-3'-Se-phenyl-3'-seleno-
TL;DR: Thymidine, alpha,alpha,alpha-trifluoro-3'-Se-phenyl-3'-seleno- (CAS 144989-70-8) is a chemical compound with molecular formula C16H15F3N2O4Se and molecular weight 436.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylselanyloxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
Also Known As: Ph-Se-CF3-ddT, Thymidine, alpha,alpha,alpha-trifluoro-3'-Se-phenyl-3'-seleno-, 3'-Phenylselenyl-2',3'-dideoxy-5-(trifluoromethyl)thymidine, 2'-Deoxy-3'-Se-phenyl-3'-seleno-5-(trifluoromethyl)uridine, Thymidine, a,a,a-trifluoro-3'-Se-phenyl-3'-seleno- (9CI)
| Molecular Formula | C16H15F3N2O4Se |
|---|---|
| Molecular Weight | 436.01 g/mol |
| LogP | 0.6534 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.01492 |
| Heavy Atoms | 26 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 144989-70-8 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(F)(F)F)CO)[Se]C3=CC=CC=C3 |
| InChIKey | CIBVWXDNMBVPBB-FRRDWIJNSA-N |
Product Overview
Thymidine, alpha,alpha,alpha-trifluoro-3'-Se-phenyl-3'-seleno- (CAS 144989-70-8), with molecular formula C16H15F3N2O4Se and molecular weight 436.01 g/mol. IUPAC: 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylselanyloxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione.
Chemical Property Profile of Thymidine, alpha,alpha,alpha-trifluoro-3'-Se-phenyl-3'-seleno-
Property Insights of Thymidine, alpha,alpha,alpha-trifluoro-3'-Se-phenyl-3'-seleno-
The XLogP value of 0.6534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thymidine, alpha,alpha,alpha-trifluoro-3'-Se-phenyl-3'-seleno-. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Thymidine, alpha,alpha,alpha-trifluoro-3'-Se-phenyl-3'-seleno-. Following Lipinski's Rule of Five, Thymidine, alpha,alpha,alpha-trifluoro-3'-Se-phenyl-3'-seleno- has 2 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 Thymidine, alpha,alpha,alpha-trifluoro-3'-Se-phenyl-3'-seleno-?
The CAS number of Thymidine, alpha,alpha,alpha-trifluoro-3'-Se-phenyl-3'-seleno- is 144989-70-8.
What is the molecular formula of Thymidine, alpha,alpha,alpha-trifluoro-3'-Se-phenyl-3'-seleno-?
The molecular formula of Thymidine, alpha,alpha,alpha-trifluoro-3'-Se-phenyl-3'-seleno- is C16H15F3N2O4Se.
What is the molecular weight of Thymidine, alpha,alpha,alpha-trifluoro-3'-Se-phenyl-3'-seleno-?
The molecular weight of Thymidine, alpha,alpha,alpha-trifluoro-3'-Se-phenyl-3'-seleno- is 436.01 g/mol.
Where can I buy Thymidine, alpha,alpha,alpha-trifluoro-3'-Se-phenyl-3'-seleno-?
You can request a quote for Thymidine, alpha,alpha,alpha-trifluoro-3'-Se-phenyl-3'-seleno- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymidine, alpha,alpha,alpha-trifluoro-3'-Se-phenyl-3'-seleno-?
Yes, KEHONG BIO provides custom synthesis services for Thymidine, alpha,alpha,alpha-trifluoro-3'-Se-phenyl-3'-seleno- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.