5'-Thymidylic acid, 3'-O-ethyl-, dipropyl ester
TL;DR: 5'-Thymidylic acid, 3'-O-ethyl-, dipropyl ester (CAS 130753-02-5) is a chemical compound with molecular formula C18H31N2O8P and molecular weight 434.1818 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3S,5R)-3-ethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dipropyl phosphate
Also Known As: 5'-diPrPO4-3'-OEtT, 3'-O-ethylthymidine-5'-dipropyl phosphate, 5'-Thymidylic acid, 3'-O-ethyl-, dipropyl ester, 5'-O-(Dipropoxyphosphoryl)-3'-O-ethylthymidine, [(2R,3S,5R)-3-ethoxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dipropyl phosphate
Technical Specifications
| Molecular Formula | C18H31N2O8P |
| Molecular Weight | 434.1818 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 434.1818 Da |
| Heavy Atoms | 29 |
| Complexity | 644.0 |
| SMILES | CCCOP(=O)(OCCC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)OCC |
| InChIKey | APYDNNXEQSEVHZ-ARFHVFGLSA-N |
Chemical Property Profile of 5'-Thymidylic acid, 3'-O-ethyl-, dipropyl ester
Property Insights of 5'-Thymidylic acid, 3'-O-ethyl-, dipropyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'-Thymidylic acid, 3'-O-ethyl-, dipropyl ester. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5'-Thymidylic acid, 3'-O-ethyl-, dipropyl ester. Following Lipinski's Rule of Five, 5'-Thymidylic acid, 3'-O-ethyl-, dipropyl ester has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5'-Thymidylic acid, 3'-O-ethyl-, dipropyl ester?
The CAS number of 5'-Thymidylic acid, 3'-O-ethyl-, dipropyl ester is 130753-02-5.
What is the molecular formula of 5'-Thymidylic acid, 3'-O-ethyl-, dipropyl ester?
The molecular formula of 5'-Thymidylic acid, 3'-O-ethyl-, dipropyl ester is C18H31N2O8P.
What is the molecular weight of 5'-Thymidylic acid, 3'-O-ethyl-, dipropyl ester?
The molecular weight of 5'-Thymidylic acid, 3'-O-ethyl-, dipropyl ester is 434.1818 g/mol.
Where can I buy 5'-Thymidylic acid, 3'-O-ethyl-, dipropyl ester?
You can request a quote for 5'-Thymidylic acid, 3'-O-ethyl-, dipropyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5'-Thymidylic acid, 3'-O-ethyl-, dipropyl ester?
Yes, CoreyChem provides custom synthesis services for 5'-Thymidylic acid, 3'-O-ethyl-, dipropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.