5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylate
TL;DR: 5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylate (CAS 104303-50-6) is a chemical compound with molecular formula C10H12NO4- and molecular weight 210.07663 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylate
Also Known As: 4-Methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate, 5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylate
Technical Specifications
| Molecular Formula | C10H12NO4- |
| Molecular Weight | 210.07663 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 82.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.07663 Da |
| Heavy Atoms | 15 |
| Complexity | 261.0 |
| SMILES | CCC1=C(C(=C(N1)C(=O)[O-])C)C(=O)OC |
| InChIKey | USHDUEUJFBPDNZ-UHFFFAOYSA-M |
Chemical Property Profile of 5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylate
Property Insights of 5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylate. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, 5-ethyl-4-methoxycarbonyl-3-methyl-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
What is the CAS number of 5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylate?
The CAS number of 5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylate is 104303-50-6.
What is the molecular formula of 5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylate?
The molecular formula of 5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylate is C10H12NO4-.
What is the molecular weight of 5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylate?
The molecular weight of 5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylate is 210.07663 g/mol.
Where can I buy 5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylate?
You can request a quote for 5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for 5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.