5(E)-(2-Bromovinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine
TL;DR: 5(E)-(2-Bromovinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine (CAS 95740-14-0) is a chemical compound with molecular formula C11H13BrFN3O4 and molecular weight 349.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-[(E)-2-bromoethenyl]-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Also Known As: 5(E)-(2-Bromovinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine, 5(E)-(2-Bromovinyl)-1-(2-deoxy-2-fluoro-.beta.-D-arabinofuranosyl)cytosine, 4-amino-5-[(E)-2-bromoethenyl]-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one, 5-[(E)-2-bromovinyl]-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-imino-pyrimidin-2-one
| Molecular Formula | C11H13BrFN3O4 |
|---|---|
| Molecular Weight | 349.01 g/mol |
| LogP | -0.2202 |
| Topological Polar Surface Area | 110.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.00735 |
| Heavy Atoms | 20 |
| Complexity | 579.2769 |
Chemical Identifiers
| CAS Number | 95740-14-0 |
|---|---|
| SMILES | C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F)N)/C=C/Br |
Product Overview
5(E)-(2-Bromovinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine (CAS 95740-14-0), with molecular formula C11H13BrFN3O4 and molecular weight 349.01 g/mol. IUPAC: 4-amino-5-[(E)-2-bromoethenyl]-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.
Chemical Property Profile of 5(E)-(2-Bromovinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine
Property Insights of 5(E)-(2-Bromovinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine
The XLogP value of -0.2202 indicates that 5(E)-(2-Bromovinyl)-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 110.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5(E)-(2-Bromovinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine. Following Lipinski's Rule of Five, 5(E)-(2-Bromovinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine 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 5(E)-(2-Bromovinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine?
The CAS number of 5(E)-(2-Bromovinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine is 95740-14-0.
What is the molecular formula of 5(E)-(2-Bromovinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine?
The molecular formula of 5(E)-(2-Bromovinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine is C11H13BrFN3O4.
What is the molecular weight of 5(E)-(2-Bromovinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine?
The molecular weight of 5(E)-(2-Bromovinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine is 349.01 g/mol.
Where can I buy 5(E)-(2-Bromovinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine?
You can request a quote for 5(E)-(2-Bromovinyl)-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-Bromovinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine?
Yes, KEHONG BIO provides custom synthesis services for 5(E)-(2-Bromovinyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)cytosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.