5'-Ethynylthymidine
TL;DR: 5'-Ethynylthymidine (CAS 93265-82-8) is a chemical compound with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Also Known As: 5'-Ethynylthymidine, 5'-Et-Dthd, 2(1H)-Pyrimidinone, 1-(2-deoxy-beta-D-erythro-pentofuranosyl)-5-ethynyl-, 5-Ethynyl-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one, 5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
| Molecular Formula | C11H12N2O4 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | -1.1347 |
| Topological Polar Surface Area | 84.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.07971 |
| Heavy Atoms | 17 |
| Complexity | 504.92828 |
Chemical Identifiers
| CAS Number | 93265-82-8 |
|---|---|
| SMILES | C#CC1=CN(C(=O)N=C1)[C@H]2C[C@@H]([C@H](O2)CO)O |
Product Overview
5'-Ethynylthymidine (CAS 93265-82-8), with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol. IUPAC: 5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.
Chemical Property Profile of 5'-Ethynylthymidine
Property Insights of 5'-Ethynylthymidine
The XLogP value of -1.1347 indicates that 5'-Ethynylthymidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 5'-Ethynylthymidine. Following Lipinski's Rule of Five, 5'-Ethynylthymidine has 2 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 5'-Ethynylthymidine?
The CAS number of 5'-Ethynylthymidine is 93265-82-8.
What is the molecular formula of 5'-Ethynylthymidine?
The molecular formula of 5'-Ethynylthymidine is C11H12N2O4.
What is the molecular weight of 5'-Ethynylthymidine?
The molecular weight of 5'-Ethynylthymidine is 236.08 g/mol.
Where can I buy 5'-Ethynylthymidine?
You can request a quote for 5'-Ethynylthymidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-Ethynylthymidine?
Yes, KEHONG BIO provides custom synthesis services for 5'-Ethynylthymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.