5-Trifluoromethyl-2'-deoxyuridylic acid
TL;DR: 5-Trifluoromethyl-2'-deoxyuridylic acid (CAS 39156-78-0) is a chemical compound with molecular formula C10H12F3N2O8P and molecular weight 376.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Also Known As: CF3dUMP, Trifluridine-5-phosphate, 5-Trifluoromethyl-2'-deoxyuridylic acid, 5-(trifluoromethyl)-dUMP, alpha,alpha,alpha-Trifluoro-5'-thymidylic acid
| Molecular Formula | C10H12F3N2O8P |
|---|---|
| Molecular Weight | 376.03 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.02835 |
| Heavy Atoms | 24 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 39156-78-0 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(F)(F)F)COP(=O)(O)O)O |
| InChIKey | AOHHEIONYLEPLB-RRKCRQDMSA-N |
Product Overview
5-Trifluoromethyl-2'-deoxyuridylic acid (CAS 39156-78-0), with molecular formula C10H12F3N2O8P and molecular weight 376.03 g/mol. IUPAC: [(2R,3S,5R)-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate.
Chemical Property Profile of 5-Trifluoromethyl-2'-deoxyuridylic acid
Property Insights of 5-Trifluoromethyl-2'-deoxyuridylic acid
The XLogP value of -2.1 indicates that 5-Trifluoromethyl-2'-deoxyuridylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.0 Ų indicates high polarity, suggesting 5-Trifluoromethyl-2'-deoxyuridylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Trifluoromethyl-2'-deoxyuridylic acid has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Trifluoromethyl-2'-deoxyuridylic acid?
The CAS number of 5-Trifluoromethyl-2'-deoxyuridylic acid is 39156-78-0.
What is the molecular formula of 5-Trifluoromethyl-2'-deoxyuridylic acid?
The molecular formula of 5-Trifluoromethyl-2'-deoxyuridylic acid is C10H12F3N2O8P.
What is the molecular weight of 5-Trifluoromethyl-2'-deoxyuridylic acid?
The molecular weight of 5-Trifluoromethyl-2'-deoxyuridylic acid is 376.03 g/mol.
Where can I buy 5-Trifluoromethyl-2'-deoxyuridylic acid?
You can request a quote for 5-Trifluoromethyl-2'-deoxyuridylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Trifluoromethyl-2'-deoxyuridylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Trifluoromethyl-2'-deoxyuridylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.