![1-[3-C-Methyl-2-deoxy-beta-D-threo-pentofuranosyl]thymine structure](/static/products/1202/120268-28-2.webp)
1-[3-C-Methyl-2-deoxy-beta-D-threo-pentofuranosyl]thymine
TL;DR: 1-[3-C-Methyl-2-deoxy-beta-D-threo-pentofuranosyl]thymine (CAS 120268-28-2) is a chemical compound with molecular formula C11H16N2O5 and molecular weight 256.10593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 1-[3-C-Methyl-2-deoxy-beta-D-threo-pentofuranosyl]thymine, 1-(2-Deoxy-3-C-methyl-, A-D-threo-pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione, 1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione, 1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-4-methyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
Technical Specifications
| Molecular Formula | C11H16N2O5 |
| Molecular Weight | 256.10593 g/mol |
| XLogP | -1.9 |
| Topological Polar Surface Area (TPSA) | 99.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.10593 Da |
| Heavy Atoms | 18 |
| Complexity | 422.0 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@]([C@H](O2)CO)(C)O |
| InChIKey | WOVADNQZODJWGU-SOCHQFKDSA-N |
Chemical Property Profile of 1-[3-C-Methyl-2-deoxy-beta-D-threo-pentofuranosyl]thymine
Property Insights of 1-[3-C-Methyl-2-deoxy-beta-D-threo-pentofuranosyl]thymine
The XLogP value of -1.9 indicates that 1-[3-C-Methyl-2-deoxy-beta-D-threo-pentofuranosyl]thymine 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 1-[3-C-Methyl-2-deoxy-beta-D-threo-pentofuranosyl]thymine. Following Lipinski's Rule of Five, 1-[3-C-Methyl-2-deoxy-beta-D-threo-pentofuranosyl]thymine 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
What is the CAS number of 1-[3-C-Methyl-2-deoxy-beta-D-threo-pentofuranosyl]thymine?
The CAS number of 1-[3-C-Methyl-2-deoxy-beta-D-threo-pentofuranosyl]thymine is 120268-28-2.
What is the molecular formula of 1-[3-C-Methyl-2-deoxy-beta-D-threo-pentofuranosyl]thymine?
The molecular formula of 1-[3-C-Methyl-2-deoxy-beta-D-threo-pentofuranosyl]thymine is C11H16N2O5.
What is the molecular weight of 1-[3-C-Methyl-2-deoxy-beta-D-threo-pentofuranosyl]thymine?
The molecular weight of 1-[3-C-Methyl-2-deoxy-beta-D-threo-pentofuranosyl]thymine is 256.10593 g/mol.
Where can I buy 1-[3-C-Methyl-2-deoxy-beta-D-threo-pentofuranosyl]thymine?
You can request a quote for 1-[3-C-Methyl-2-deoxy-beta-D-threo-pentofuranosyl]thymine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[3-C-Methyl-2-deoxy-beta-D-threo-pentofuranosyl]thymine?
Yes, CoreyChem provides custom synthesis services for 1-[3-C-Methyl-2-deoxy-beta-D-threo-pentofuranosyl]thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.