2-Ethyl 5-bromo-3-methyl-1H-pyrrole-2,4-dicarboxylate
TL;DR: 2-Ethyl 5-bromo-3-methyl-1H-pyrrole-2,4-dicarboxylate (CAS 90561-95-8) is a chemical compound with molecular formula C9H10BrNO4 and molecular weight 274.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acid
Also Known As: 2-Ethyl 5-bromo-3-methyl-1H-pyrrole-2,4-dicarboxylate, ETHYL 5-BROMO-4-CARBOXY-3-METHYL-2-PYRROLECARBOXYLATE, 2-bromo-5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic Acid, 2-Bromo-5-(ethoxycarbonyl)-4-methyl-1H-pyrrole-3-carboxylic acid, RefChem:260418
| Molecular Formula | C9H10BrNO4 |
|---|---|
| Molecular Weight | 274.98 g/mol |
| LogP | 1.96052 |
| Topological Polar Surface Area | 79.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.9793 |
| Heavy Atoms | 15 |
| Complexity | 410.49 |
Chemical Identifiers
| CAS Number | 90561-95-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)Br)C(=O)O)C |
Product Overview
2-Ethyl 5-bromo-3-methyl-1H-pyrrole-2,4-dicarboxylate (CAS 90561-95-8), with molecular formula C9H10BrNO4 and molecular weight 274.98 g/mol. IUPAC: 2-bromo-5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acid.
Chemical Property Profile of 2-Ethyl 5-bromo-3-methyl-1H-pyrrole-2,4-dicarboxylate
Property Insights of 2-Ethyl 5-bromo-3-methyl-1H-pyrrole-2,4-dicarboxylate
The XLogP value of 1.96052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl 5-bromo-3-methyl-1H-pyrrole-2,4-dicarboxylate. The TPSA of 79.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethyl 5-bromo-3-methyl-1H-pyrrole-2,4-dicarboxylate. Following Lipinski's Rule of Five, 2-Ethyl 5-bromo-3-methyl-1H-pyrrole-2,4-dicarboxylate has 2 hydrogen bond donor(s) and 3 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 2-Ethyl 5-bromo-3-methyl-1H-pyrrole-2,4-dicarboxylate?
The CAS number of 2-Ethyl 5-bromo-3-methyl-1H-pyrrole-2,4-dicarboxylate is 90561-95-8.
What is the molecular formula of 2-Ethyl 5-bromo-3-methyl-1H-pyrrole-2,4-dicarboxylate?
The molecular formula of 2-Ethyl 5-bromo-3-methyl-1H-pyrrole-2,4-dicarboxylate is C9H10BrNO4.
What is the molecular weight of 2-Ethyl 5-bromo-3-methyl-1H-pyrrole-2,4-dicarboxylate?
The molecular weight of 2-Ethyl 5-bromo-3-methyl-1H-pyrrole-2,4-dicarboxylate is 274.98 g/mol.
Where can I buy 2-Ethyl 5-bromo-3-methyl-1H-pyrrole-2,4-dicarboxylate?
You can request a quote for 2-Ethyl 5-bromo-3-methyl-1H-pyrrole-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl 5-bromo-3-methyl-1H-pyrrole-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl 5-bromo-3-methyl-1H-pyrrole-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.