2',3'-Dideoxy-3'-fluoro-4'-thioCytidine
TL;DR: 2',3'-Dideoxy-3'-fluoro-4'-thioCytidine (CAS 166249-16-7) is a chemical compound with molecular formula C9H12FN3O2S and molecular weight 245.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one
Also Known As: 2',3'-Dideoxy-3'-fluoro-4'-thioCytidine, cytidine, 2',3'-dideoxy-3'-fluoro-4'-thio-, 4-Amino-1-(4-fluoro-5-hydroxymethyl-tetrahydro-thiophen-2-yl)-1H-pyrimidin-2-one, 4-amino-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one, 4-amino-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one
| Molecular Formula | C9H12FN3O2S |
|---|---|
| Molecular Weight | 245.06 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.06343 |
| Heavy Atoms | 16 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 166249-16-7 |
|---|---|
| SMILES | C1[C@@H]([C@H](S[C@H]1N2C=CC(=NC2=O)N)CO)F |
| InChIKey | GWNWEZAFWHPDMN-SHYZEUOFSA-N |
Product Overview
2',3'-Dideoxy-3'-fluoro-4'-thioCytidine (CAS 166249-16-7), with molecular formula C9H12FN3O2S and molecular weight 245.06 g/mol. IUPAC: 4-amino-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one.
Chemical Property Profile of 2',3'-Dideoxy-3'-fluoro-4'-thioCytidine
Property Insights of 2',3'-Dideoxy-3'-fluoro-4'-thioCytidine
The XLogP value of -0.4 indicates that 2',3'-Dideoxy-3'-fluoro-4'-thioCytidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2',3'-Dideoxy-3'-fluoro-4'-thioCytidine. Following Lipinski's Rule of Five, 2',3'-Dideoxy-3'-fluoro-4'-thioCytidine has 2 hydrogen bond donor(s) and 4 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 2',3'-Dideoxy-3'-fluoro-4'-thioCytidine?
The CAS number of 2',3'-Dideoxy-3'-fluoro-4'-thioCytidine is 166249-16-7.
What is the molecular formula of 2',3'-Dideoxy-3'-fluoro-4'-thioCytidine?
The molecular formula of 2',3'-Dideoxy-3'-fluoro-4'-thioCytidine is C9H12FN3O2S.
What is the molecular weight of 2',3'-Dideoxy-3'-fluoro-4'-thioCytidine?
The molecular weight of 2',3'-Dideoxy-3'-fluoro-4'-thioCytidine is 245.06 g/mol.
Where can I buy 2',3'-Dideoxy-3'-fluoro-4'-thioCytidine?
You can request a quote for 2',3'-Dideoxy-3'-fluoro-4'-thioCytidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2',3'-Dideoxy-3'-fluoro-4'-thioCytidine?
Yes, KEHONG BIO provides custom synthesis services for 2',3'-Dideoxy-3'-fluoro-4'-thioCytidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.