3'-(N-methyl-1,4-nicotinoyl)-5'-pivaloyltrifluorothymidine
TL;DR: 3'-(N-methyl-1,4-nicotinoyl)-5'-pivaloyltrifluorothymidine (CAS 104987-44-2) is a chemical compound with molecular formula C22H26F3N3O7 and molecular weight 501.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S)-2-(2,2-dimethylpropanoyloxymethyl)-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]oxolan-3-yl] 1-methyl-4H-pyridine-3-carboxylate
Also Known As: DHTFT, 3'-(N-methyl-1,4-nicotinoyl)-5'-pivaloyltrifluorothymidine, [(2R,3S)-2-(2,2-dimethylpropanoyloxymethyl)-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]oxolan-3-yl] 1-methyl-4H-pyridine-3-carboxylate, 3/'-(N-methyl-1,4-nicotinoyl)-5/'-pivaloyltrifluorothymidine, 3'-(N-methyl-1,4-dihydronicotinoyl)-5'-pivaloyltrifluorothymidine
| Molecular Formula | C22H26F3N3O7 |
|---|---|
| Molecular Weight | 501.17 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 501.17227 |
| Heavy Atoms | 35 |
| Complexity | 997.0 |
Chemical Identifiers
| CAS Number | 104987-44-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC[C@@H]1[C@H](CC(O1)N2C=C(C(=O)NC2=O)C(F)(F)F)OC(=O)C3=CN(C=CC3)C |
| InChIKey | PUUXKDCZTQOAGJ-QMRHZFGWSA-N |
Product Overview
3'-(N-methyl-1,4-nicotinoyl)-5'-pivaloyltrifluorothymidine (CAS 104987-44-2), with molecular formula C22H26F3N3O7 and molecular weight 501.17 g/mol. IUPAC: [(2R,3S)-2-(2,2-dimethylpropanoyloxymethyl)-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]oxolan-3-yl] 1-methyl-4H-pyridine-3-carboxylate.
Chemical Property Profile of 3'-(N-methyl-1,4-nicotinoyl)-5'-pivaloyltrifluorothymidine
Property Insights of 3'-(N-methyl-1,4-nicotinoyl)-5'-pivaloyltrifluorothymidine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-(N-methyl-1,4-nicotinoyl)-5'-pivaloyltrifluorothymidine. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-(N-methyl-1,4-nicotinoyl)-5'-pivaloyltrifluorothymidine. Following Lipinski's Rule of Five, 3'-(N-methyl-1,4-nicotinoyl)-5'-pivaloyltrifluorothymidine has 1 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 3'-(N-methyl-1,4-nicotinoyl)-5'-pivaloyltrifluorothymidine?
The CAS number of 3'-(N-methyl-1,4-nicotinoyl)-5'-pivaloyltrifluorothymidine is 104987-44-2.
What is the molecular formula of 3'-(N-methyl-1,4-nicotinoyl)-5'-pivaloyltrifluorothymidine?
The molecular formula of 3'-(N-methyl-1,4-nicotinoyl)-5'-pivaloyltrifluorothymidine is C22H26F3N3O7.
What is the molecular weight of 3'-(N-methyl-1,4-nicotinoyl)-5'-pivaloyltrifluorothymidine?
The molecular weight of 3'-(N-methyl-1,4-nicotinoyl)-5'-pivaloyltrifluorothymidine is 501.17 g/mol.
Where can I buy 3'-(N-methyl-1,4-nicotinoyl)-5'-pivaloyltrifluorothymidine?
You can request a quote for 3'-(N-methyl-1,4-nicotinoyl)-5'-pivaloyltrifluorothymidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-(N-methyl-1,4-nicotinoyl)-5'-pivaloyltrifluorothymidine?
Yes, KEHONG BIO provides custom synthesis services for 3'-(N-methyl-1,4-nicotinoyl)-5'-pivaloyltrifluorothymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.