Thymidine 5'-O-pivaloate
TL;DR: Thymidine 5'-O-pivaloate (CAS 40733-25-3) is a chemical compound with molecular formula C15H22N2O6 and molecular weight 326.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2,2-dimethylpropanoate
Also Known As: Thymidine 5'-O-pivaloate, 5'-O-Pivaloylthymidine, 5 -O-Pivaloylthymidine, Thymidine, 5'-(2,2-dimethylpropanoate), J3.451.864E
| Molecular Formula | C15H22N2O6 |
|---|---|
| Molecular Weight | 326.15 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.1478 |
| Heavy Atoms | 23 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 40733-25-3 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)C(C)(C)C)O |
| InChIKey | BRNFAYVGWLKRPV-HBNTYKKESA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thymidine 5'-O-pivaloate (CAS 40733-25-3), with molecular formula C15H22N2O6 and molecular weight 326.15 g/mol. IUPAC: [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2,2-dimethylpropanoate.
Chemical Property Profile of Thymidine 5'-O-pivaloate
Property Insights of Thymidine 5'-O-pivaloate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thymidine 5'-O-pivaloate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thymidine 5'-O-pivaloate. Following Lipinski's Rule of Five, Thymidine 5'-O-pivaloate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thymidine 5'-O-pivaloate?
The CAS number of Thymidine 5'-O-pivaloate is 40733-25-3.
What is the molecular formula of Thymidine 5'-O-pivaloate?
The molecular formula of Thymidine 5'-O-pivaloate is C15H22N2O6.
What is the molecular weight of Thymidine 5'-O-pivaloate?
The molecular weight of Thymidine 5'-O-pivaloate is 326.15 g/mol.
Where can I buy Thymidine 5'-O-pivaloate?
You can request a quote for Thymidine 5'-O-pivaloate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymidine 5'-O-pivaloate?
Yes, KEHONG BIO provides custom synthesis services for Thymidine 5'-O-pivaloate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.