1-(2,5-Dideoxy-2-fluoro-5-thio-beta-D-arabinofuranosyl)-5-iodocytosine
TL;DR: 1-(2,5-Dideoxy-2-fluoro-5-thio-beta-D-arabinofuranosyl)-5-iodocytosine (CAS 105281-20-7) is a chemical compound with molecular formula C9H11FIN3O3S and molecular weight 386.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-[(2R,3S,4R,5S)-3-fluoro-4-hydroxy-5-(sulfanylmethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
Also Known As: 5'-SH-FIAC, 1-(2,5-Dideoxy-2-fluoro-5-thio-beta-D-arabinofuranosyl)-5-iodocytosine, 1-(2,5-Dideoxy-2-fluoro-5-thio-.beta.-D-arabinofuranosyl)-5-iodocytosine, 4-amino-1-[(2R,3S,4R,5S)-3-fluoro-4-hydroxy-5-(sulfanylmethyl)oxolan-2-yl]-5-iodopyrimidin-2-one, 4-Amino-1-(2-deoxy-2-fluoro-5-thio-beta-D-arabinofuranosyl)-5-iodopyrimidin-2(1H)-one
| Molecular Formula | C9H11FIN3O3S |
|---|---|
| Molecular Weight | 386.95 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 89.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 386.955 |
| Heavy Atoms | 18 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 105281-20-7 |
|---|---|
| SMILES | C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CS)O)F)N)I |
| InChIKey | PLUYXMZFGCAPJB-BYPJNBLXSA-N |
Product Overview
1-(2,5-Dideoxy-2-fluoro-5-thio-beta-D-arabinofuranosyl)-5-iodocytosine (CAS 105281-20-7), with molecular formula C9H11FIN3O3S and molecular weight 386.95 g/mol. IUPAC: 4-amino-1-[(2R,3S,4R,5S)-3-fluoro-4-hydroxy-5-(sulfanylmethyl)oxolan-2-yl]-5-iodopyrimidin-2-one.
Chemical Property Profile of 1-(2,5-Dideoxy-2-fluoro-5-thio-beta-D-arabinofuranosyl)-5-iodocytosine
Property Insights of 1-(2,5-Dideoxy-2-fluoro-5-thio-beta-D-arabinofuranosyl)-5-iodocytosine
The XLogP value of -0.3 indicates that 1-(2,5-Dideoxy-2-fluoro-5-thio-beta-D-arabinofuranosyl)-5-iodocytosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,5-Dideoxy-2-fluoro-5-thio-beta-D-arabinofuranosyl)-5-iodocytosine. Following Lipinski's Rule of Five, 1-(2,5-Dideoxy-2-fluoro-5-thio-beta-D-arabinofuranosyl)-5-iodocytosine has 3 hydrogen bond donor(s) and 5 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 1-(2,5-Dideoxy-2-fluoro-5-thio-beta-D-arabinofuranosyl)-5-iodocytosine?
The CAS number of 1-(2,5-Dideoxy-2-fluoro-5-thio-beta-D-arabinofuranosyl)-5-iodocytosine is 105281-20-7.
What is the molecular formula of 1-(2,5-Dideoxy-2-fluoro-5-thio-beta-D-arabinofuranosyl)-5-iodocytosine?
The molecular formula of 1-(2,5-Dideoxy-2-fluoro-5-thio-beta-D-arabinofuranosyl)-5-iodocytosine is C9H11FIN3O3S.
What is the molecular weight of 1-(2,5-Dideoxy-2-fluoro-5-thio-beta-D-arabinofuranosyl)-5-iodocytosine?
The molecular weight of 1-(2,5-Dideoxy-2-fluoro-5-thio-beta-D-arabinofuranosyl)-5-iodocytosine is 386.95 g/mol.
Where can I buy 1-(2,5-Dideoxy-2-fluoro-5-thio-beta-D-arabinofuranosyl)-5-iodocytosine?
You can request a quote for 1-(2,5-Dideoxy-2-fluoro-5-thio-beta-D-arabinofuranosyl)-5-iodocytosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,5-Dideoxy-2-fluoro-5-thio-beta-D-arabinofuranosyl)-5-iodocytosine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,5-Dideoxy-2-fluoro-5-thio-beta-D-arabinofuranosyl)-5-iodocytosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.