Ethyl 5-(5-bromo-2-thienyl)-3-isoxazolecarboxylate
TL;DR: Ethyl 5-(5-bromo-2-thienyl)-3-isoxazolecarboxylate (CAS 423768-50-7) is a chemical compound with molecular formula C10H8BrNO3S and molecular weight 300.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(5-bromothiophen-2-yl)-1,2-oxazole-3-carboxylate
Also Known As: ethyl 5-(5-bromo-2-thienyl)-3-isoxazolecarboxylate, ethyl 5-(5-bromothiophen-2-yl)-1,2-oxazole-3-carboxylate, Ethyl 5-(5-bromothiophen-2-yl)isoxazole-3-carboxylate, 1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carbonyl chloride, RefChem:344173
| Molecular Formula | C10H8BrNO3S |
|---|---|
| Molecular Weight | 300.94 g/mol |
| LogP | 3.3423 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.94083 |
| Heavy Atoms | 16 |
| Complexity | 505.64215 |
Chemical Identifiers
| CAS Number | 423768-50-7 |
|---|---|
| SMILES | CCOC(=O)C1=NOC(=C1)C2=CC=C(S2)Br |
Product Overview
Ethyl 5-(5-bromo-2-thienyl)-3-isoxazolecarboxylate (CAS 423768-50-7), with molecular formula C10H8BrNO3S and molecular weight 300.94 g/mol. IUPAC: ethyl 5-(5-bromothiophen-2-yl)-1,2-oxazole-3-carboxylate.
Chemical Property Profile of Ethyl 5-(5-bromo-2-thienyl)-3-isoxazolecarboxylate
Property Insights of Ethyl 5-(5-bromo-2-thienyl)-3-isoxazolecarboxylate
The XLogP value of 3.3423 indicates that Ethyl 5-(5-bromo-2-thienyl)-3-isoxazolecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.33 Ų, Ethyl 5-(5-bromo-2-thienyl)-3-isoxazolecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-(5-bromo-2-thienyl)-3-isoxazolecarboxylate has 0 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 Ethyl 5-(5-bromo-2-thienyl)-3-isoxazolecarboxylate?
The CAS number of Ethyl 5-(5-bromo-2-thienyl)-3-isoxazolecarboxylate is 423768-50-7.
What is the molecular formula of Ethyl 5-(5-bromo-2-thienyl)-3-isoxazolecarboxylate?
The molecular formula of Ethyl 5-(5-bromo-2-thienyl)-3-isoxazolecarboxylate is C10H8BrNO3S.
What is the molecular weight of Ethyl 5-(5-bromo-2-thienyl)-3-isoxazolecarboxylate?
The molecular weight of Ethyl 5-(5-bromo-2-thienyl)-3-isoxazolecarboxylate is 300.94 g/mol.
Where can I buy Ethyl 5-(5-bromo-2-thienyl)-3-isoxazolecarboxylate?
You can request a quote for Ethyl 5-(5-bromo-2-thienyl)-3-isoxazolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-(5-bromo-2-thienyl)-3-isoxazolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(5-bromo-2-thienyl)-3-isoxazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.