4'-Thiogemcitabine
TL;DR: 4'-Thiogemcitabine (CAS 174833-68-2) is a chemical compound with molecular formula C9H11F2N3O3S and molecular weight 279.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one
Also Known As: 4'-Thiogemcitabine, 4 -Thiogemcitabine, 2'-Deoxy-2',2'-difluoro-4'-thioCytidine, cytidine, 2'-deoxy-2',2'-difluoro-4'-thio-, 2 -Deoxy-2 ,2 -difluoro-4 -O-thiacytidine
| Molecular Formula | C9H11F2N3O3S |
|---|---|
| Molecular Weight | 279.05 g/mol |
| LogP | -0.572 |
| Topological Polar Surface Area | 101.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.04892 |
| Heavy Atoms | 18 |
| Complexity | 510.0764 |
Chemical Identifiers
| CAS Number | 174833-68-2 |
|---|---|
| SMILES | C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](S2)CO)O)(F)F |
Product Overview
4'-Thiogemcitabine (CAS 174833-68-2), with molecular formula C9H11F2N3O3S and molecular weight 279.05 g/mol. IUPAC: 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one.
Chemical Property Profile of 4'-Thiogemcitabine
Property Insights of 4'-Thiogemcitabine
The XLogP value of -0.572 indicates that 4'-Thiogemcitabine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Thiogemcitabine. Following Lipinski's Rule of Five, 4'-Thiogemcitabine 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
Frequently Asked Questions
What is the CAS number of 4'-Thiogemcitabine?
The CAS number of 4'-Thiogemcitabine is 174833-68-2.
What is the molecular formula of 4'-Thiogemcitabine?
The molecular formula of 4'-Thiogemcitabine is C9H11F2N3O3S.
What is the molecular weight of 4'-Thiogemcitabine?
The molecular weight of 4'-Thiogemcitabine is 279.05 g/mol.
Where can I buy 4'-Thiogemcitabine?
You can request a quote for 4'-Thiogemcitabine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Thiogemcitabine?
Yes, KEHONG BIO provides custom synthesis services for 4'-Thiogemcitabine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.