Acetylthymine
TL;DR: Acetylthymine (CAS 13251-16-6) is a chemical compound with molecular formula C7H8N2O3 and molecular weight 168.0535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-acetyl-5-methylpyrimidine-2,4-dione
Also Known As: acetylthymine, N1-Acetylthymine, 1-thyminylacetaldehyde, l-Acetyl-5-methyluracil, 1-acetyl-5-methylpyrimidine-2,4-dione
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H8N2O3 |
| Molecular Weight | 168.0535 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.0535 Da |
| Heavy Atoms | 12 |
| Complexity | 293.0 |
| SMILES | CC1=CN(C(=O)NC1=O)C(=O)C |
| InChIKey | YBXJEAPQVULNKE-UHFFFAOYSA-N |
Chemical Property Profile of Acetylthymine
Property Insights of Acetylthymine
The XLogP value of -1.0 indicates that Acetylthymine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetylthymine. Following Lipinski's Rule of Five, Acetylthymine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetylthymine?
The CAS number of Acetylthymine is 13251-16-6.
What is the molecular formula of Acetylthymine?
The molecular formula of Acetylthymine is C7H8N2O3.
What is the molecular weight of Acetylthymine?
The molecular weight of Acetylthymine is 168.0535 g/mol.
Where can I buy Acetylthymine?
You can request a quote for Acetylthymine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetylthymine?
Yes, CoreyChem provides custom synthesis services for Acetylthymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.