Ethyl 4-bromo-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate
TL;DR: Ethyl 4-bromo-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate (CAS 94405-10-4) is a chemical compound with molecular formula C11H11BrN2O3 and molecular weight 298.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-bromo-5-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxylate
Also Known As: Ethyl 4-bromo-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate, NCI60_033331, AQ-776/42801554, ethyl 4-bromo-5-(3-methylisoxazol-5-yl)pyrrole-2-carboxylate, ethyl 4-bromo-5-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxylate
| Molecular Formula | C11H11BrN2O3 |
|---|---|
| Molecular Weight | 298.00 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 68.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.9953 |
| Heavy Atoms | 17 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 94405-10-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(N1)C2=CC(=NO2)C)Br |
| InChIKey | BUNKLDSLDJHWNF-UHFFFAOYSA-N |
Product Overview
Ethyl 4-bromo-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate (CAS 94405-10-4), with molecular formula C11H11BrN2O3 and molecular weight 298.00 g/mol. IUPAC: ethyl 4-bromo-5-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxylate.
Chemical Property Profile of Ethyl 4-bromo-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate
Property Insights of Ethyl 4-bromo-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-bromo-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-bromo-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-bromo-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate has 1 hydrogen bond donor(s) and 4 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 4-bromo-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate?
The CAS number of Ethyl 4-bromo-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate is 94405-10-4.
What is the molecular formula of Ethyl 4-bromo-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate?
The molecular formula of Ethyl 4-bromo-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate is C11H11BrN2O3.
What is the molecular weight of Ethyl 4-bromo-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate?
The molecular weight of Ethyl 4-bromo-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate is 298.00 g/mol.
Where can I buy Ethyl 4-bromo-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate?
You can request a quote for Ethyl 4-bromo-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-bromo-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-bromo-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.