5-(2-Bromoethyl)-2'-deoxyuridine
TL;DR: 5-(2-Bromoethyl)-2'-deoxyuridine (CAS 96492-34-1) is a chemical compound with molecular formula C11H15BrN2O5 and molecular weight 334.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-bromoethyl)-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: BEUdR, 5-(2-Bromoethyl)-2'-deoxyuridine, Uridine, 5-(2-bromoethyl)-2'-deoxy-, 5-(2-bromoethyl)-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione, 5-(2-Bromoethyl)-1-(2-deoxypentofuranosyl)-4-hydroxypyrimidin-2(1H)-one
| Molecular Formula | C11H15BrN2O5 |
|---|---|
| Molecular Weight | 334.02 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.01642 |
| Heavy Atoms | 19 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 96492-34-1 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@@H]1N2C=C(C(=O)NC2=O)CCBr)CO)O |
| InChIKey | ARAPHVJYXVDNPN-YIZRAAEISA-N |
Product Overview
5-(2-Bromoethyl)-2'-deoxyuridine (CAS 96492-34-1), with molecular formula C11H15BrN2O5 and molecular weight 334.02 g/mol. IUPAC: 5-(2-bromoethyl)-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of 5-(2-Bromoethyl)-2'-deoxyuridine
Property Insights of 5-(2-Bromoethyl)-2'-deoxyuridine
The XLogP value of -0.5 indicates that 5-(2-Bromoethyl)-2'-deoxyuridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Bromoethyl)-2'-deoxyuridine. Following Lipinski's Rule of Five, 5-(2-Bromoethyl)-2'-deoxyuridine 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-(2-Bromoethyl)-2'-deoxyuridine?
The CAS number of 5-(2-Bromoethyl)-2'-deoxyuridine is 96492-34-1.
What is the molecular formula of 5-(2-Bromoethyl)-2'-deoxyuridine?
The molecular formula of 5-(2-Bromoethyl)-2'-deoxyuridine is C11H15BrN2O5.
What is the molecular weight of 5-(2-Bromoethyl)-2'-deoxyuridine?
The molecular weight of 5-(2-Bromoethyl)-2'-deoxyuridine is 334.02 g/mol.
Where can I buy 5-(2-Bromoethyl)-2'-deoxyuridine?
You can request a quote for 5-(2-Bromoethyl)-2'-deoxyuridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Bromoethyl)-2'-deoxyuridine?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Bromoethyl)-2'-deoxyuridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.