Thymidine, 4'-C-ethynyl-
TL;DR: Thymidine, 4'-C-ethynyl- (CAS 221272-62-4) 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.
1-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 4'-ethynylthymidine, Thymidine, 4'-C-ethynyl-, 4'-alpha-Ethynylthymidine, 4'-c-ethynylthymidine, 4 -Ethynylthymidine
| Molecular Formula | C12H14N2O5 |
|---|---|
| Molecular Weight | 266.09 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.09027 |
| Heavy Atoms | 19 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 221272-62-4 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@](O2)(CO)C#C)O |
| InChIKey | LLKVXAAJAGWZGF-YGOYTEALSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thymidine, 4'-C-ethynyl- (CAS 221272-62-4), with molecular formula C12H14N2O5 and molecular weight 266.09 g/mol. IUPAC: 1-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of Thymidine, 4'-C-ethynyl-
Property Insights of Thymidine, 4'-C-ethynyl-
The XLogP value of -1.0 indicates that Thymidine, 4'-C-ethynyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Thymidine, 4'-C-ethynyl-. Following Lipinski's Rule of Five, Thymidine, 4'-C-ethynyl- has 3 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, 4'-C-ethynyl-?
The CAS number of Thymidine, 4'-C-ethynyl- is 221272-62-4.
What is the molecular formula of Thymidine, 4'-C-ethynyl-?
The molecular formula of Thymidine, 4'-C-ethynyl- is C12H14N2O5.
What is the molecular weight of Thymidine, 4'-C-ethynyl-?
The molecular weight of Thymidine, 4'-C-ethynyl- is 266.09 g/mol.
Where can I buy Thymidine, 4'-C-ethynyl-?
You can request a quote for Thymidine, 4'-C-ethynyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymidine, 4'-C-ethynyl-?
Yes, KEHONG BIO provides custom synthesis services for Thymidine, 4'-C-ethynyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.