Ethyl 3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
TL;DR: Ethyl 3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate (CAS 459155-04-5) is a chemical compound with molecular formula C14H14BrNO4 and molecular weight 339.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
Also Known As: BIM-0012957.P001, AB00104680-01, ethyl 3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate, ethyl 3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate
| Molecular Formula | C14H14BrNO4 |
|---|---|
| Molecular Weight | 339.01 g/mol |
| LogP | 2.5195 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.01062 |
| Heavy Atoms | 20 |
| Complexity | 584.0965 |
Chemical Identifiers
| CAS Number | 459155-04-5 |
|---|---|
| SMILES | CCOC(=O)C1(C(=C(C(=O)N1C2=CC=CC=C2)O)Br)C |
Product Overview
Ethyl 3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate (CAS 459155-04-5), with molecular formula C14H14BrNO4 and molecular weight 339.01 g/mol. IUPAC: ethyl 3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate.
Chemical Property Profile of Ethyl 3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
Property Insights of Ethyl 3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
The XLogP value of 2.5195 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-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 3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate?
The CAS number of Ethyl 3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate is 459155-04-5.
What is the molecular formula of Ethyl 3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate?
The molecular formula of Ethyl 3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate is C14H14BrNO4.
What is the molecular weight of Ethyl 3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate?
The molecular weight of Ethyl 3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate is 339.01 g/mol.
Where can I buy Ethyl 3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate?
You can request a quote for Ethyl 3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-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 3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.