gemcitabine
TL;DR: gemcitabine (CAS 122111-11-9) is a chemical compound with molecular formula C9H11F2N3O4 and molecular weight 263.07178 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-1-[(2S,4S,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Also Known As: gemcitabine, 2-dexy-2,2-difluoro-3,5-o-dibenzoylribose mesylate, 4-amino-1-[(2S,4S,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one, 1-(2-Deoxy-2,2-difluoro-.beta.-L-erythro-pentofuranos-1-yl)cytosine, 4-Amino-1-((2S,4S,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one
Technical Specifications
| Molecular Formula | C9H11F2N3O4 |
| Molecular Weight | 263.07178 g/mol |
| XLogP | -1.5 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.07178 Da |
| Heavy Atoms | 18 |
| Complexity | 426.0 |
| SMILES | C1=CN(C(=O)N=C1N)[C@@H]2C([C@H]([C@@H](O2)CO)O)(F)F |
| InChIKey | SDUQYLNIPVEERB-QTSITTDLSA-N |
Chemical Property Profile of gemcitabine
Property Insights of gemcitabine
The XLogP value of -1.5 indicates that gemcitabine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for gemcitabine. Following Lipinski's Rule of Five, gemcitabine has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of gemcitabine?
The CAS number of gemcitabine is 122111-11-9.
What is the molecular formula of gemcitabine?
The molecular formula of gemcitabine is C9H11F2N3O4.
What is the molecular weight of gemcitabine?
The molecular weight of gemcitabine is 263.07178 g/mol.
Where can I buy gemcitabine?
You can request a quote for gemcitabine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for gemcitabine?
Yes, CoreyChem provides custom synthesis services for gemcitabine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.