1-tert-butyl 2-ethyl 5-formyl-1H-pyrrole-1,2-dicarboxylate
TL;DR: 1-tert-butyl 2-ethyl 5-formyl-1H-pyrrole-1,2-dicarboxylate (CAS 105632-52-8) is a chemical compound with molecular formula C13H17NO5 and molecular weight 267.1107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-O-tert-butyl 2-O-ethyl 5-formylpyrrole-1,2-dicarboxylate
Also Known As: 1-tert-butyl 2-ethyl 5-formyl-1H-pyrrole-1,2-dicarboxylate, 1-O-tert-butyl 2-O-ethyl 5-formylpyrrole-1,2-dicarboxylate, AE-508/36399029, 1-tert-butyl 2-ethyl 5-formylpyrrole-1,2-dicarboxylate, 1-tert-butyl2-ethyl5-formyl-1H-pyrrole-1,2-dicarboxylate
Technical Specifications
| Molecular Formula | C13H17NO5 |
| Molecular Weight | 267.1107 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 267.1107 Da |
| Heavy Atoms | 19 |
| Complexity | 361.0 |
| SMILES | CCOC(=O)C1=CC=C(N1C(=O)OC(C)(C)C)C=O |
| InChIKey | XOESFJYVBFHMSI-UHFFFAOYSA-N |
Chemical Property Profile of 1-tert-butyl 2-ethyl 5-formyl-1H-pyrrole-1,2-dicarboxylate
Property Insights of 1-tert-butyl 2-ethyl 5-formyl-1H-pyrrole-1,2-dicarboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-tert-butyl 2-ethyl 5-formyl-1H-pyrrole-1,2-dicarboxylate. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-tert-butyl 2-ethyl 5-formyl-1H-pyrrole-1,2-dicarboxylate. Following Lipinski's Rule of Five, 1-tert-butyl 2-ethyl 5-formyl-1H-pyrrole-1,2-dicarboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-tert-butyl 2-ethyl 5-formyl-1H-pyrrole-1,2-dicarboxylate?
The CAS number of 1-tert-butyl 2-ethyl 5-formyl-1H-pyrrole-1,2-dicarboxylate is 105632-52-8.
What is the molecular formula of 1-tert-butyl 2-ethyl 5-formyl-1H-pyrrole-1,2-dicarboxylate?
The molecular formula of 1-tert-butyl 2-ethyl 5-formyl-1H-pyrrole-1,2-dicarboxylate is C13H17NO5.
What is the molecular weight of 1-tert-butyl 2-ethyl 5-formyl-1H-pyrrole-1,2-dicarboxylate?
The molecular weight of 1-tert-butyl 2-ethyl 5-formyl-1H-pyrrole-1,2-dicarboxylate is 267.1107 g/mol.
Where can I buy 1-tert-butyl 2-ethyl 5-formyl-1H-pyrrole-1,2-dicarboxylate?
You can request a quote for 1-tert-butyl 2-ethyl 5-formyl-1H-pyrrole-1,2-dicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-tert-butyl 2-ethyl 5-formyl-1H-pyrrole-1,2-dicarboxylate?
Yes, CoreyChem provides custom synthesis services for 1-tert-butyl 2-ethyl 5-formyl-1H-pyrrole-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.