Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-acetate
TL;DR: Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-acetate (CAS 77421-68-2) is a chemical compound with molecular formula C12H14N2O5 and molecular weight 266.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl acetate
Also Known As: 5'-acetyl-D4T, d4T-5'-Ac, MT1-120, Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-acetate, 5'-Acetyl-2',3'-dideoxy-2',3'-didehydrothymidine
| Molecular Formula | C12H14N2O5 |
|---|---|
| Molecular Weight | 266.09 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.09027 |
| Heavy Atoms | 19 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 77421-68-2 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COC(=O)C |
| InChIKey | QIDSTUDQCSMSKL-VHSXEESVSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-acetate (CAS 77421-68-2), with molecular formula C12H14N2O5 and molecular weight 266.09 g/mol. IUPAC: [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl acetate.
Chemical Property Profile of Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-acetate
Property Insights of Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-acetate
The XLogP value of -0.2 indicates that Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-acetate. Following Lipinski's Rule of Five, Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-acetate has 1 hydrogen bond donor(s) and 5 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, 2',3'-didehydro-3'-deoxy-, 5'-acetate?
The CAS number of Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-acetate is 77421-68-2.
What is the molecular formula of Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-acetate?
The molecular formula of Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-acetate is C12H14N2O5.
What is the molecular weight of Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-acetate?
The molecular weight of Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-acetate is 266.09 g/mol.
Where can I buy Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-acetate?
You can request a quote for Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-acetate?
Yes, KEHONG BIO provides custom synthesis services for Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.