O(4)-Isopropylthymidine 5'-phosphate
TL;DR: O(4)-Isopropylthymidine 5'-phosphate (CAS 100515-09-1) is a chemical compound with molecular formula C13H23N2O14P3 and molecular weight 524.0362 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2-oxo-4-propan-2-yloxypyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Also Known As: 4-IP-Ttp, O(4)-Isopropylthymidine 5'-phosphate, O(4)-Isopropylthymidine 5/'-phosphate, methyl 3-(methyl(octadecyl)amino)propanoate, [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2-oxo-4-propan-2-yloxypyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Technical Specifications
| Molecular Formula | C13H23N2O14P3 |
| Molecular Weight | 524.0362 g/mol |
| XLogP | -3.3 |
| Topological Polar Surface Area (TPSA) | 231.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 524.0362 Da |
| Heavy Atoms | 32 |
| Complexity | 929.0 |
| SMILES | CC1=CN(C(=O)N=C1OC(C)C)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
| InChIKey | JFBLFQYPGSJNIC-HBNTYKKESA-N |
Chemical Property Profile of O(4)-Isopropylthymidine 5'-phosphate
Property Insights of O(4)-Isopropylthymidine 5'-phosphate
The XLogP value of -3.3 indicates that O(4)-Isopropylthymidine 5'-phosphate 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)-Isopropylthymidine 5'-phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O(4)-Isopropylthymidine 5'-phosphate has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of O(4)-Isopropylthymidine 5'-phosphate?
The CAS number of O(4)-Isopropylthymidine 5'-phosphate is 100515-09-1.
What is the molecular formula of O(4)-Isopropylthymidine 5'-phosphate?
The molecular formula of O(4)-Isopropylthymidine 5'-phosphate is C13H23N2O14P3.
What is the molecular weight of O(4)-Isopropylthymidine 5'-phosphate?
The molecular weight of O(4)-Isopropylthymidine 5'-phosphate is 524.0362 g/mol.
Where can I buy O(4)-Isopropylthymidine 5'-phosphate?
You can request a quote for O(4)-Isopropylthymidine 5'-phosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for O(4)-Isopropylthymidine 5'-phosphate?
Yes, CoreyChem provides custom synthesis services for O(4)-Isopropylthymidine 5'-phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.