5-Bromo-2'-deoxy-2'-fluoro-beta-D-arabinouridine
TL;DR: 5-Bromo-2'-deoxy-2'-fluoro-beta-D-arabinouridine (CAS 69123-97-3) is a chemical compound with molecular formula C9H10BrFN2O5 and molecular weight 323.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: 5-Bromo-2'-deoxy-2'-fluoro-beta-D-arabinouridine, 5-bromo-2-deoxy-2-fluoro-b-D-arabinouridine, J2.085.049C, 5-bromo-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione, 1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-bromouracil
| Molecular Formula | C9H10BrFN2O5 |
|---|---|
| Molecular Weight | 323.98 g/mol |
| LogP | -1.1122 |
| Topological Polar Surface Area | 104.55 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.9757 |
| Heavy Atoms | 18 |
| Complexity | 558.6243 |
Chemical Identifiers
| CAS Number | 69123-97-3 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F)Br |
Product Overview
5-Bromo-2'-deoxy-2'-fluoro-beta-D-arabinouridine (CAS 69123-97-3), with molecular formula C9H10BrFN2O5 and molecular weight 323.98 g/mol. IUPAC: 5-bromo-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of 5-Bromo-2'-deoxy-2'-fluoro-beta-D-arabinouridine
Property Insights of 5-Bromo-2'-deoxy-2'-fluoro-beta-D-arabinouridine
The XLogP value of -1.1122 indicates that 5-Bromo-2'-deoxy-2'-fluoro-beta-D-arabinouridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-2'-deoxy-2'-fluoro-beta-D-arabinouridine. Following Lipinski's Rule of Five, 5-Bromo-2'-deoxy-2'-fluoro-beta-D-arabinouridine 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 5-Bromo-2'-deoxy-2'-fluoro-beta-D-arabinouridine?
The CAS number of 5-Bromo-2'-deoxy-2'-fluoro-beta-D-arabinouridine is 69123-97-3.
What is the molecular formula of 5-Bromo-2'-deoxy-2'-fluoro-beta-D-arabinouridine?
The molecular formula of 5-Bromo-2'-deoxy-2'-fluoro-beta-D-arabinouridine is C9H10BrFN2O5.
What is the molecular weight of 5-Bromo-2'-deoxy-2'-fluoro-beta-D-arabinouridine?
The molecular weight of 5-Bromo-2'-deoxy-2'-fluoro-beta-D-arabinouridine is 323.98 g/mol.
Where can I buy 5-Bromo-2'-deoxy-2'-fluoro-beta-D-arabinouridine?
You can request a quote for 5-Bromo-2'-deoxy-2'-fluoro-beta-D-arabinouridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2'-deoxy-2'-fluoro-beta-D-arabinouridine?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2'-deoxy-2'-fluoro-beta-D-arabinouridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.