1-(3,3-Bishydroxymethylcyclobut-1-yl)-thymine
TL;DR: 1-(3,3-Bishydroxymethylcyclobut-1-yl)-thymine (CAS 138420-48-1) is a chemical compound with molecular formula C11H16N2O4 and molecular weight 240.11101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3,3-bis(hydroxymethyl)cyclobutyl]-5-methylpyrimidine-2,4-dione
Also Known As: 3,3-OHMe-cyclobutyl-T, 1-(3,3-Bishydroxymethylcyclobut-1-yl)-thymine, 1-[3,3-Bis(hydroxymethyl)cyclobutyl]thymine, 1-[3,3-bis(hydroxymethyl)cyclobutyl]-5-methylpyrimidine-2,4-dione, 1-[3,3-bis(hydroxymethyl)cyclobutyl]-5-methylpyrimidine-2,4(1H,3H)-dione
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H16N2O4 |
| Molecular Weight | 240.11101 g/mol |
| XLogP | -2.3 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.11101 Da |
| Heavy Atoms | 17 |
| Complexity | 379.0 |
| SMILES | CC1=CN(C(=O)NC1=O)C2CC(C2)(CO)CO |
| InChIKey | HSLAVDGKUWSPDP-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3,3-Bishydroxymethylcyclobut-1-yl)-thymine
Property Insights of 1-(3,3-Bishydroxymethylcyclobut-1-yl)-thymine
The XLogP value of -2.3 indicates that 1-(3,3-Bishydroxymethylcyclobut-1-yl)-thymine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,3-Bishydroxymethylcyclobut-1-yl)-thymine. Following Lipinski's Rule of Five, 1-(3,3-Bishydroxymethylcyclobut-1-yl)-thymine has 3 hydrogen bond donor(s) and 4 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-(3,3-Bishydroxymethylcyclobut-1-yl)-thymine?
The CAS number of 1-(3,3-Bishydroxymethylcyclobut-1-yl)-thymine is 138420-48-1.
What is the molecular formula of 1-(3,3-Bishydroxymethylcyclobut-1-yl)-thymine?
The molecular formula of 1-(3,3-Bishydroxymethylcyclobut-1-yl)-thymine is C11H16N2O4.
What is the molecular weight of 1-(3,3-Bishydroxymethylcyclobut-1-yl)-thymine?
The molecular weight of 1-(3,3-Bishydroxymethylcyclobut-1-yl)-thymine is 240.11101 g/mol.
Where can I buy 1-(3,3-Bishydroxymethylcyclobut-1-yl)-thymine?
You can request a quote for 1-(3,3-Bishydroxymethylcyclobut-1-yl)-thymine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3,3-Bishydroxymethylcyclobut-1-yl)-thymine?
Yes, CoreyChem provides custom synthesis services for 1-(3,3-Bishydroxymethylcyclobut-1-yl)-thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.