5-(3,3,3-Trifluoro-1-propenyl)-2'-deoxyuridylate
TL;DR: 5-(3,3,3-Trifluoro-1-propenyl)-2'-deoxyuridylate (CAS 69151-18-4) is a chemical compound with molecular formula C12H14F3N2O8P and molecular weight 402.04 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-[(E)-3,3,3-trifluoroprop-1-enyl]pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Also Known As: Cid 6443208, 1-bromo-4-(1-bromoethenyl)benzene, 5-(3,3,3-Trifluoro-1-propenyl)-2'-deoxyuridylate, 5-(3,4-dimethylphenyl)-2-phenyl-1,3-oxazole, (E)-2'-Deoxy-5-(3,3,3-trifluoro-1-propenyl)-5'-uridylic acid
| Molecular Formula | C12H14F3N2O8P |
|---|---|
| Molecular Weight | 402.04 g/mol |
| LogP | -0.1302 |
| Topological Polar Surface Area | 151.08 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.04398 |
| Heavy Atoms | 26 |
| Complexity | 842.10266 |
Chemical Identifiers
| CAS Number | 69151-18-4 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/C(F)(F)F)COP(=O)(O)O)O |
Product Overview
5-(3,3,3-Trifluoro-1-propenyl)-2'-deoxyuridylate (CAS 69151-18-4), with molecular formula C12H14F3N2O8P and molecular weight 402.04 g/mol. IUPAC: [(2R,3S,5R)-5-[2,4-dioxo-5-[(E)-3,3,3-trifluoroprop-1-enyl]pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate.
Chemical Property Profile of 5-(3,3,3-Trifluoro-1-propenyl)-2'-deoxyuridylate
Property Insights of 5-(3,3,3-Trifluoro-1-propenyl)-2'-deoxyuridylate
The XLogP value of -0.1302 indicates that 5-(3,3,3-Trifluoro-1-propenyl)-2'-deoxyuridylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 151.08 Ų indicates high polarity, suggesting 5-(3,3,3-Trifluoro-1-propenyl)-2'-deoxyuridylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(3,3,3-Trifluoro-1-propenyl)-2'-deoxyuridylate has 4 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 5-(3,3,3-Trifluoro-1-propenyl)-2'-deoxyuridylate?
The CAS number of 5-(3,3,3-Trifluoro-1-propenyl)-2'-deoxyuridylate is 69151-18-4.
What is the molecular formula of 5-(3,3,3-Trifluoro-1-propenyl)-2'-deoxyuridylate?
The molecular formula of 5-(3,3,3-Trifluoro-1-propenyl)-2'-deoxyuridylate is C12H14F3N2O8P.
What is the molecular weight of 5-(3,3,3-Trifluoro-1-propenyl)-2'-deoxyuridylate?
The molecular weight of 5-(3,3,3-Trifluoro-1-propenyl)-2'-deoxyuridylate is 402.04 g/mol.
Where can I buy 5-(3,3,3-Trifluoro-1-propenyl)-2'-deoxyuridylate?
You can request a quote for 5-(3,3,3-Trifluoro-1-propenyl)-2'-deoxyuridylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,3,3-Trifluoro-1-propenyl)-2'-deoxyuridylate?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,3,3-Trifluoro-1-propenyl)-2'-deoxyuridylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.