ethyl 3-bromo-1-(4-bromophenyl)-4-hydroxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-carboxylate
TL;DR: ethyl 3-bromo-1-(4-bromophenyl)-4-hydroxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-carboxylate (CAS 484049-95-8) is a chemical compound with molecular formula C14H13Br2NO4 and molecular weight 416.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-bromo-1-(4-bromophenyl)-4-hydroxy-2-methyl-5-oxopyrrole-2-carboxylate
Also Known As: ethyl 3-bromo-1-(4-bromophenyl)-4-hydroxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-carboxylate, A2811/0118907, ethyl 3-bromo-1-(4-bromophenyl)-4-hydroxy-2-methyl-5-oxo-3-pyrroline-2-carboxy late, ethyl 3-bromo-1-(4-bromophenyl)-4-hydroxy-2-methyl-5-oxopyrrole-2-carboxylate
| Molecular Formula | C14H13Br2NO4 |
|---|---|
| Molecular Weight | 416.92 g/mol |
| LogP | 3.282 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.92114 |
| Heavy Atoms | 21 |
| Complexity | 626.3661 |
Chemical Identifiers
| CAS Number | 484049-95-8 |
|---|---|
| SMILES | CCOC(=O)C1(C(=C(C(=O)N1C2=CC=C(C=C2)Br)O)Br)C |
Product Overview
ethyl 3-bromo-1-(4-bromophenyl)-4-hydroxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-carboxylate (CAS 484049-95-8), with molecular formula C14H13Br2NO4 and molecular weight 416.92 g/mol. IUPAC: ethyl 3-bromo-1-(4-bromophenyl)-4-hydroxy-2-methyl-5-oxopyrrole-2-carboxylate.
Chemical Property Profile of ethyl 3-bromo-1-(4-bromophenyl)-4-hydroxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-carboxylate
Property Insights of ethyl 3-bromo-1-(4-bromophenyl)-4-hydroxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-carboxylate
The XLogP value of 3.282 indicates that ethyl 3-bromo-1-(4-bromophenyl)-4-hydroxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-bromo-1-(4-bromophenyl)-4-hydroxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-bromo-1-(4-bromophenyl)-4-hydroxy-2-methyl-5-oxo-2,5-dihydro-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 3-bromo-1-(4-bromophenyl)-4-hydroxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-carboxylate?
The CAS number of ethyl 3-bromo-1-(4-bromophenyl)-4-hydroxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-carboxylate is 484049-95-8.
What is the molecular formula of ethyl 3-bromo-1-(4-bromophenyl)-4-hydroxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-carboxylate?
The molecular formula of ethyl 3-bromo-1-(4-bromophenyl)-4-hydroxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-carboxylate is C14H13Br2NO4.
What is the molecular weight of ethyl 3-bromo-1-(4-bromophenyl)-4-hydroxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-carboxylate?
The molecular weight of ethyl 3-bromo-1-(4-bromophenyl)-4-hydroxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-carboxylate is 416.92 g/mol.
Where can I buy ethyl 3-bromo-1-(4-bromophenyl)-4-hydroxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-carboxylate?
You can request a quote for ethyl 3-bromo-1-(4-bromophenyl)-4-hydroxy-2-methyl-5-oxo-2,5-dihydro-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 3-bromo-1-(4-bromophenyl)-4-hydroxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-bromo-1-(4-bromophenyl)-4-hydroxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.