5-(2-Trifluoroacetylaminohexafluoroprop-2-yl)-2'-deoxyuridine
TL;DR: 5-(2-Trifluoroacetylaminohexafluoroprop-2-yl)-2'-deoxyuridine (CAS 111712-56-2) is a chemical compound with molecular formula C14H12F9N3O6 and molecular weight 489.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,2,2-trifluoroacetamide
Also Known As: 5-Thfpdu, 5-(2-Trifluoroacetylaminohexafluoroprop-2-yl)-2'-deoxyuridine, 2'-Deoxy-5-(2-trifluoroacetylaminohexafluoroprop-2-yl)uridine, Uridine, 2'-deoxy-5-(2,2,2-trifluoro-1-((trifluoroacetyl)amino)-1-(trifluoromethyl)ethyl)-, 5-(2-trifluoroacetylaminohexafluoroprop-2-yl)-2/'-deoxyuridine
| Molecular Formula | C14H12F9N3O6 |
|---|---|
| Molecular Weight | 489.06 g/mol |
| LogP | -0.1468 |
| Topological Polar Surface Area | 133.91 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 489.05823 |
| Heavy Atoms | 32 |
| Complexity | 898.9183 |
Chemical Identifiers
| CAS Number | 111712-56-2 |
|---|---|
| SMILES | C1=C(C=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(C(F)(F)F)(C(F)(F)F)NC(=O)C(F)(F)F |
Product Overview
5-(2-Trifluoroacetylaminohexafluoroprop-2-yl)-2'-deoxyuridine (CAS 111712-56-2), with molecular formula C14H12F9N3O6 and molecular weight 489.06 g/mol. IUPAC: N-[2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,2,2-trifluoroacetamide.
Chemical Property Profile of 5-(2-Trifluoroacetylaminohexafluoroprop-2-yl)-2'-deoxyuridine
Property Insights of 5-(2-Trifluoroacetylaminohexafluoroprop-2-yl)-2'-deoxyuridine
The XLogP value of -0.1468 indicates that 5-(2-Trifluoroacetylaminohexafluoroprop-2-yl)-2'-deoxyuridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 133.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Trifluoroacetylaminohexafluoroprop-2-yl)-2'-deoxyuridine. Following Lipinski's Rule of Five, 5-(2-Trifluoroacetylaminohexafluoroprop-2-yl)-2'-deoxyuridine has 4 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 5-(2-Trifluoroacetylaminohexafluoroprop-2-yl)-2'-deoxyuridine?
The CAS number of 5-(2-Trifluoroacetylaminohexafluoroprop-2-yl)-2'-deoxyuridine is 111712-56-2.
What is the molecular formula of 5-(2-Trifluoroacetylaminohexafluoroprop-2-yl)-2'-deoxyuridine?
The molecular formula of 5-(2-Trifluoroacetylaminohexafluoroprop-2-yl)-2'-deoxyuridine is C14H12F9N3O6.
What is the molecular weight of 5-(2-Trifluoroacetylaminohexafluoroprop-2-yl)-2'-deoxyuridine?
The molecular weight of 5-(2-Trifluoroacetylaminohexafluoroprop-2-yl)-2'-deoxyuridine is 489.06 g/mol.
Where can I buy 5-(2-Trifluoroacetylaminohexafluoroprop-2-yl)-2'-deoxyuridine?
You can request a quote for 5-(2-Trifluoroacetylaminohexafluoroprop-2-yl)-2'-deoxyuridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Trifluoroacetylaminohexafluoroprop-2-yl)-2'-deoxyuridine?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Trifluoroacetylaminohexafluoroprop-2-yl)-2'-deoxyuridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.