5'-Thymidylic acid, 3'-azido-3'-deoxy-, dibutyl ester
TL;DR: 5'-Thymidylic acid, 3'-azido-3'-deoxy-, dibutyl ester (CAS 130753-05-8) is a chemical compound with molecular formula C18H30N5O7P and molecular weight 459.1883 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dibutyl phosphate
Also Known As: 5'-diBuPO4 AZT, 3'-Azidothymidine-5'-dibutyl phosphate, 5'-Thymidylic acid, 3'-azido-3'-deoxy-, dibutyl ester, 3'-Azido-3'-deoxy-5'-O-(dibutoxyphosphoryl)thymidine, [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dibutyl phosphate
Technical Specifications
| Molecular Formula | C18H30N5O7P |
| Molecular Weight | 459.1883 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 459.1883 Da |
| Heavy Atoms | 31 |
| Complexity | 756.0 |
| SMILES | CCCCOP(=O)(OCCCC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-] |
| InChIKey | NLTDQMSIAJOSCT-ARFHVFGLSA-N |
Chemical Property Profile of 5'-Thymidylic acid, 3'-azido-3'-deoxy-, dibutyl ester
Property Insights of 5'-Thymidylic acid, 3'-azido-3'-deoxy-, dibutyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'-Thymidylic acid, 3'-azido-3'-deoxy-, dibutyl ester. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5'-Thymidylic acid, 3'-azido-3'-deoxy-, dibutyl ester. Following Lipinski's Rule of Five, 5'-Thymidylic acid, 3'-azido-3'-deoxy-, dibutyl ester has 1 hydrogen bond donor(s) and 9 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'-azido-3'-deoxy-, dibutyl ester?
The CAS number of 5'-Thymidylic acid, 3'-azido-3'-deoxy-, dibutyl ester is 130753-05-8.
What is the molecular formula of 5'-Thymidylic acid, 3'-azido-3'-deoxy-, dibutyl ester?
The molecular formula of 5'-Thymidylic acid, 3'-azido-3'-deoxy-, dibutyl ester is C18H30N5O7P.
What is the molecular weight of 5'-Thymidylic acid, 3'-azido-3'-deoxy-, dibutyl ester?
The molecular weight of 5'-Thymidylic acid, 3'-azido-3'-deoxy-, dibutyl ester is 459.1883 g/mol.
Where can I buy 5'-Thymidylic acid, 3'-azido-3'-deoxy-, dibutyl ester?
You can request a quote for 5'-Thymidylic acid, 3'-azido-3'-deoxy-, dibutyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5'-Thymidylic acid, 3'-azido-3'-deoxy-, dibutyl ester?
Yes, CoreyChem provides custom synthesis services for 5'-Thymidylic acid, 3'-azido-3'-deoxy-, dibutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.