1-((2-Acetoxyethoxy)methyl)-(E)-5-(2-bromovinyl)uracil
TL;DR: 1-((2-Acetoxyethoxy)methyl)-(E)-5-(2-bromovinyl)uracil (CAS 91897-94-8) is a chemical compound with molecular formula C11H13BrN2O5 and molecular weight 332.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[(E)-2-bromoethenyl]-1-(2-hydroxyethoxymethyl)-2-oxopyrimidin-4-yl] acetate
Also Known As: 1-((2-Acetoxyethoxy)methyl)-(E)-5-(2-bromovinyl)uracil, 1-[(2-Acetoxyethoxy)methyl]-(E)-5-(2-bromovinyl)uracil, [5-[(E)-2-bromoethenyl]-1-(2-hydroxyethoxymethyl)-2-oxopyrimidin-4-yl] acetate, [5-[(E)-2-bromovinyl]-1-(2-hydroxyethoxymethyl)-2-oxo-pyrimidin-4-yl] acetate
| Molecular Formula | C11H13BrN2O5 |
|---|---|
| Molecular Weight | 332.00 g/mol |
| LogP | 0.5006 |
| Topological Polar Surface Area | 90.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.0008 |
| Heavy Atoms | 19 |
| Complexity | 526.30707 |
Chemical Identifiers
| CAS Number | 91897-94-8 |
|---|---|
| SMILES | CC(=O)OC1=NC(=O)N(C=C1/C=C/Br)COCCO |
Product Overview
1-((2-Acetoxyethoxy)methyl)-(E)-5-(2-bromovinyl)uracil (CAS 91897-94-8), with molecular formula C11H13BrN2O5 and molecular weight 332.00 g/mol. IUPAC: [5-[(E)-2-bromoethenyl]-1-(2-hydroxyethoxymethyl)-2-oxopyrimidin-4-yl] acetate.
Chemical Property Profile of 1-((2-Acetoxyethoxy)methyl)-(E)-5-(2-bromovinyl)uracil
Property Insights of 1-((2-Acetoxyethoxy)methyl)-(E)-5-(2-bromovinyl)uracil
The XLogP value of 0.5006 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((2-Acetoxyethoxy)methyl)-(E)-5-(2-bromovinyl)uracil. The TPSA of 90.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((2-Acetoxyethoxy)methyl)-(E)-5-(2-bromovinyl)uracil. Following Lipinski's Rule of Five, 1-((2-Acetoxyethoxy)methyl)-(E)-5-(2-bromovinyl)uracil has 1 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 1-((2-Acetoxyethoxy)methyl)-(E)-5-(2-bromovinyl)uracil?
The CAS number of 1-((2-Acetoxyethoxy)methyl)-(E)-5-(2-bromovinyl)uracil is 91897-94-8.
What is the molecular formula of 1-((2-Acetoxyethoxy)methyl)-(E)-5-(2-bromovinyl)uracil?
The molecular formula of 1-((2-Acetoxyethoxy)methyl)-(E)-5-(2-bromovinyl)uracil is C11H13BrN2O5.
What is the molecular weight of 1-((2-Acetoxyethoxy)methyl)-(E)-5-(2-bromovinyl)uracil?
The molecular weight of 1-((2-Acetoxyethoxy)methyl)-(E)-5-(2-bromovinyl)uracil is 332.00 g/mol.
Where can I buy 1-((2-Acetoxyethoxy)methyl)-(E)-5-(2-bromovinyl)uracil?
You can request a quote for 1-((2-Acetoxyethoxy)methyl)-(E)-5-(2-bromovinyl)uracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((2-Acetoxyethoxy)methyl)-(E)-5-(2-bromovinyl)uracil?
Yes, KEHONG BIO provides custom synthesis services for 1-((2-Acetoxyethoxy)methyl)-(E)-5-(2-bromovinyl)uracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.