Pyrrolidinothymine
TL;DR: Pyrrolidinothymine (CAS 145828-68-8) is a chemical compound with molecular formula C10H14FN3O3 and molecular weight 243.10191 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(3R,4R)-3-fluoro-4-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidine-2,4-dione
Also Known As: Pyrrolidinothymine, 1-(3-Fluoro-5-hydroxymethylpyrrolidin)thymine, 1-(3-Fluoro-5-hydroxymethyl-pyrrolidin)-thymine, 2,4(1H,3H)-Pyrimidinedione, 1-(3-fluoro-4-(hydroxymethyl)-1-pyrrolidinyl)-5-methyl-, trans-, 1-[(1R,3R,4R)-3-fluoro-4-(hydroxymethyl)pyrrolidin-1-yl]-5-methyl-pyrimidine-2,4-dione
Technical Specifications
| Molecular Formula | C10H14FN3O3 |
| Molecular Weight | 243.10191 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 72.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.10191 Da |
| Heavy Atoms | 17 |
| Complexity | 385.0 |
| SMILES | CC1=CN(C(=O)NC1=O)N2C[C@@H]([C@H](C2)F)CO |
| InChIKey | YSGKKVVPWXTYNO-SFYZADRCSA-N |
Chemical Property Profile of Pyrrolidinothymine
Property Insights of Pyrrolidinothymine
The XLogP value of -0.4 indicates that Pyrrolidinothymine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrolidinothymine. Following Lipinski's Rule of Five, Pyrrolidinothymine 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
What is the CAS number of Pyrrolidinothymine?
The CAS number of Pyrrolidinothymine is 145828-68-8.
What is the molecular formula of Pyrrolidinothymine?
The molecular formula of Pyrrolidinothymine is C10H14FN3O3.
What is the molecular weight of Pyrrolidinothymine?
The molecular weight of Pyrrolidinothymine is 243.10191 g/mol.
Where can I buy Pyrrolidinothymine?
You can request a quote for Pyrrolidinothymine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyrrolidinothymine?
Yes, CoreyChem provides custom synthesis services for Pyrrolidinothymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.