2'-Fluoro-5-bromo-1-beta-D-arabinofuranosylcytosine
TL;DR: 2'-Fluoro-5-bromo-1-beta-D-arabinofuranosylcytosine (CAS 69123-93-9) is a chemical compound with molecular formula C9H11BrFN3O4 and molecular weight 322.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-bromo-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Also Known As: 2'-Fluoro-5-bromo-aracytosine, 2'-Fluoro-5-bromo-1-beta-D-arabinofuranosylcytosine, 5-Bromo-2'-deoxy-2'-fluoro-beta-D-arabinocytidine, 1-(2-Deoxy-2-fluoro-Beta-D-arabinofuranosyl)-5-bromocytosine, 2'-Deoxy-2'-fluoro-beta-D-arabinofuranosyl-5-bromocytosine
| Molecular Formula | C9H11BrFN3O4 |
|---|---|
| Molecular Weight | 322.99 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.9917 |
| Heavy Atoms | 18 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 69123-93-9 |
|---|---|
| SMILES | C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F)N)Br |
| InChIKey | DPTQLSGNVUCAMZ-BYPJNBLXSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2'-Fluoro-5-bromo-1-beta-D-arabinofuranosylcytosine (CAS 69123-93-9), with molecular formula C9H11BrFN3O4 and molecular weight 322.99 g/mol. IUPAC: 4-amino-5-bromo-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.
Chemical Property Profile of 2'-Fluoro-5-bromo-1-beta-D-arabinofuranosylcytosine
Property Insights of 2'-Fluoro-5-bromo-1-beta-D-arabinofuranosylcytosine
The XLogP value of -0.5 indicates that 2'-Fluoro-5-bromo-1-beta-D-arabinofuranosylcytosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Fluoro-5-bromo-1-beta-D-arabinofuranosylcytosine. Following Lipinski's Rule of Five, 2'-Fluoro-5-bromo-1-beta-D-arabinofuranosylcytosine 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 2'-Fluoro-5-bromo-1-beta-D-arabinofuranosylcytosine?
The CAS number of 2'-Fluoro-5-bromo-1-beta-D-arabinofuranosylcytosine is 69123-93-9.
What is the molecular formula of 2'-Fluoro-5-bromo-1-beta-D-arabinofuranosylcytosine?
The molecular formula of 2'-Fluoro-5-bromo-1-beta-D-arabinofuranosylcytosine is C9H11BrFN3O4.
What is the molecular weight of 2'-Fluoro-5-bromo-1-beta-D-arabinofuranosylcytosine?
The molecular weight of 2'-Fluoro-5-bromo-1-beta-D-arabinofuranosylcytosine is 322.99 g/mol.
Where can I buy 2'-Fluoro-5-bromo-1-beta-D-arabinofuranosylcytosine?
You can request a quote for 2'-Fluoro-5-bromo-1-beta-D-arabinofuranosylcytosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Fluoro-5-bromo-1-beta-D-arabinofuranosylcytosine?
Yes, KEHONG BIO provides custom synthesis services for 2'-Fluoro-5-bromo-1-beta-D-arabinofuranosylcytosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.