![5-[(1E,3E)-4-bromo-1,3-butadienyl]-2'-deoxyuridine structure](/static/products/322/322454-13-7.png)
5-[(1E,3E)-4-bromo-1,3-butadienyl]-2'-deoxyuridine
TL;DR: 5-[(1E,3E)-4-bromo-1,3-butadienyl]-2'-deoxyuridine (CAS 322454-13-7) is a chemical compound with molecular formula C13H15BrN2O5 and molecular weight 358.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(1E,3E)-4-bromobuta-1,3-dienyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: 5-[(1E,3E)-4-bromo-1,3-butadienyl]-2'-deoxyuridine, Uridine, 5-[(1E,3E)-4-bromo-1,3-butadienyl]-2'-deoxy-
| Molecular Formula | C13H15BrN2O5 |
|---|---|
| Molecular Weight | 358.02 g/mol |
| LogP | 0.0991 |
| Topological Polar Surface Area | 104.55 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.01642 |
| Heavy Atoms | 21 |
| Complexity | 663.26086 |
Chemical Identifiers
| CAS Number | 322454-13-7 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/C=C/Br)CO)O |
Product Overview
5-[(1E,3E)-4-bromo-1,3-butadienyl]-2'-deoxyuridine (CAS 322454-13-7), with molecular formula C13H15BrN2O5 and molecular weight 358.02 g/mol. IUPAC: 5-[(1E,3E)-4-bromobuta-1,3-dienyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of 5-[(1E,3E)-4-bromo-1,3-butadienyl]-2'-deoxyuridine
Property Insights of 5-[(1E,3E)-4-bromo-1,3-butadienyl]-2'-deoxyuridine
The XLogP value of 0.0991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(1E,3E)-4-bromo-1,3-butadienyl]-2'-deoxyuridine. The TPSA of 104.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(1E,3E)-4-bromo-1,3-butadienyl]-2'-deoxyuridine. Following Lipinski's Rule of Five, 5-[(1E,3E)-4-bromo-1,3-butadienyl]-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-[(1E,3E)-4-bromo-1,3-butadienyl]-2'-deoxyuridine?
The CAS number of 5-[(1E,3E)-4-bromo-1,3-butadienyl]-2'-deoxyuridine is 322454-13-7.
What is the molecular formula of 5-[(1E,3E)-4-bromo-1,3-butadienyl]-2'-deoxyuridine?
The molecular formula of 5-[(1E,3E)-4-bromo-1,3-butadienyl]-2'-deoxyuridine is C13H15BrN2O5.
What is the molecular weight of 5-[(1E,3E)-4-bromo-1,3-butadienyl]-2'-deoxyuridine?
The molecular weight of 5-[(1E,3E)-4-bromo-1,3-butadienyl]-2'-deoxyuridine is 358.02 g/mol.
Where can I buy 5-[(1E,3E)-4-bromo-1,3-butadienyl]-2'-deoxyuridine?
You can request a quote for 5-[(1E,3E)-4-bromo-1,3-butadienyl]-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-[(1E,3E)-4-bromo-1,3-butadienyl]-2'-deoxyuridine?
Yes, KEHONG BIO provides custom synthesis services for 5-[(1E,3E)-4-bromo-1,3-butadienyl]-2'-deoxyuridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.