![4-amino-1-[(2S,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one structure](/static/products/1165/116561-09-2.webp)
4-amino-1-[(2S,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
TL;DR: 4-amino-1-[(2S,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one (CAS 116561-09-2) is a chemical compound with molecular formula C9H13N3O3 and molecular weight 211.09569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-1-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Also Known As: zalcitabine, .alpha.-D-ddC, 2',3'-Dideoxy-.alpha.-D-cytidine, 4-amino-1-[(2S,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one, 1-(2,3-Dideoxy-alpha-D-ribofuranosyl)-4-aminopyrimidin-2(1H)-one
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H13N3O3 |
| Molecular Weight | 211.09569 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 88.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.09569 Da |
| Heavy Atoms | 15 |
| Complexity | 327.0 |
| SMILES | C1C[C@H](O[C@@H]1CO)N2C=CC(=NC2=O)N |
| InChIKey | WREGKURFCTUGRC-XPUUQOCRSA-N |
Chemical Property Profile of 4-amino-1-[(2S,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
Property Insights of 4-amino-1-[(2S,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
The XLogP value of -1.3 indicates that 4-amino-1-[(2S,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-1-[(2S,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one. Following Lipinski's Rule of Five, 4-amino-1-[(2S,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one has 2 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 4-amino-1-[(2S,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one?
The CAS number of 4-amino-1-[(2S,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one is 116561-09-2.
What is the molecular formula of 4-amino-1-[(2S,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one?
The molecular formula of 4-amino-1-[(2S,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one is C9H13N3O3.
What is the molecular weight of 4-amino-1-[(2S,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one?
The molecular weight of 4-amino-1-[(2S,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one is 211.09569 g/mol.
Where can I buy 4-amino-1-[(2S,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one?
You can request a quote for 4-amino-1-[(2S,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-amino-1-[(2S,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one?
Yes, CoreyChem provides custom synthesis services for 4-amino-1-[(2S,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.