5(E)-(2-Carboxyvinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine
TL;DR: 5(E)-(2-Carboxyvinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine (CAS 95740-13-9) is a chemical compound with molecular formula C12H14FN3O6 and molecular weight 315.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoic acid
Also Known As: 5(E)-(2-Carboxyvinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine, 5(E)-(2-Carboxyvinyl)-1-(2-deoxy-2-fluoro-.beta.-D-arabinofuranosyl0cytosine, 5(E)-(2-Carboxyvinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl0cytosine, (E)-3-[1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-imino-2-oxo-pyrimidin-5-yl]prop-2-enoic acid, (E)-3-[4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoic acid
| Molecular Formula | C12H14FN3O6 |
|---|---|
| Molecular Weight | 315.09 g/mol |
| LogP | -1.488 |
| Topological Polar Surface Area | 147.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.08667 |
| Heavy Atoms | 22 |
| Complexity | 660.75195 |
Chemical Identifiers
| CAS Number | 95740-13-9 |
|---|---|
| SMILES | C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F)N)/C=C/C(=O)O |
Product Overview
5(E)-(2-Carboxyvinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine (CAS 95740-13-9), with molecular formula C12H14FN3O6 and molecular weight 315.09 g/mol. IUPAC: (E)-3-[4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoic acid.
Chemical Property Profile of 5(E)-(2-Carboxyvinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine
Property Insights of 5(E)-(2-Carboxyvinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine
The XLogP value of -1.488 indicates that 5(E)-(2-Carboxyvinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.9 Ų indicates high polarity, suggesting 5(E)-(2-Carboxyvinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5(E)-(2-Carboxyvinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine has 4 hydrogen bond donor(s) and 7 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 5(E)-(2-Carboxyvinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine?
The CAS number of 5(E)-(2-Carboxyvinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine is 95740-13-9.
What is the molecular formula of 5(E)-(2-Carboxyvinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine?
The molecular formula of 5(E)-(2-Carboxyvinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine is C12H14FN3O6.
What is the molecular weight of 5(E)-(2-Carboxyvinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine?
The molecular weight of 5(E)-(2-Carboxyvinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine is 315.09 g/mol.
Where can I buy 5(E)-(2-Carboxyvinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine?
You can request a quote for 5(E)-(2-Carboxyvinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5(E)-(2-Carboxyvinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine?
Yes, KEHONG BIO provides custom synthesis services for 5(E)-(2-Carboxyvinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.