O(4)-ethylthymidine 5'-triphosphate
TL;DR: O(4)-ethylthymidine 5'-triphosphate (CAS 96027-03-1) is a chemical compound with molecular formula C12H21N2O14P3 and molecular weight 510.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,5R)-5-(4-ethoxy-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: 4-ET-Ttp, O(4)-Ethylthymidine 5'-triphosphate, [[(2R,3S,5R)-5-(4-ethoxy-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate, 1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-erythro-pentofuranosyl]-4-ethoxy-5-methylpyrimidin-2(1H)-one, 1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-4-ethoxy-5-methylpyrimidin-2(1H)-one
| Molecular Formula | C12H21N2O14P3 |
|---|---|
| Molecular Weight | 510.02 g/mol |
| LogP | -3.8 |
| Topological Polar Surface Area | 231.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 510.02057 |
| Heavy Atoms | 31 |
| Complexity | 899.0 |
Chemical Identifiers
| CAS Number | 96027-03-1 |
|---|---|
| SMILES | CCOC1=NC(=O)N(C=C1C)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
| InChIKey | BKPIEXSGCJRDDJ-IVZWLZJFSA-N |
Product Overview
O(4)-ethylthymidine 5'-triphosphate (CAS 96027-03-1), with molecular formula C12H21N2O14P3 and molecular weight 510.02 g/mol. IUPAC: [[(2R,3S,5R)-5-(4-ethoxy-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of O(4)-ethylthymidine 5'-triphosphate
Property Insights of O(4)-ethylthymidine 5'-triphosphate
The XLogP value of -3.8 indicates that O(4)-ethylthymidine 5'-triphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 231.0 Ų indicates high polarity, suggesting O(4)-ethylthymidine 5'-triphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O(4)-ethylthymidine 5'-triphosphate has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O(4)-ethylthymidine 5'-triphosphate?
The CAS number of O(4)-ethylthymidine 5'-triphosphate is 96027-03-1.
What is the molecular formula of O(4)-ethylthymidine 5'-triphosphate?
The molecular formula of O(4)-ethylthymidine 5'-triphosphate is C12H21N2O14P3.
What is the molecular weight of O(4)-ethylthymidine 5'-triphosphate?
The molecular weight of O(4)-ethylthymidine 5'-triphosphate is 510.02 g/mol.
Where can I buy O(4)-ethylthymidine 5'-triphosphate?
You can request a quote for O(4)-ethylthymidine 5'-triphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O(4)-ethylthymidine 5'-triphosphate?
Yes, KEHONG BIO provides custom synthesis services for O(4)-ethylthymidine 5'-triphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.