2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate
TL;DR: 2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate (CAS 517894-64-3) is a chemical compound with molecular formula C14H19NO5 and molecular weight 281.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: Butanoic acid,2-cyano, J2.148.480F, 2-tert-butyl 4-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate, 2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate, 5-Formyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid 2-(1,1-dimethylethyl) 4-ethyl ester
| Molecular Formula | C14H19NO5 |
|---|---|
| Molecular Weight | 281.13 g/mol |
| LogP | 2.26762 |
| Topological Polar Surface Area | 85.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.1263 |
| Heavy Atoms | 20 |
| Complexity | 536.49457 |
Chemical Identifiers
| CAS Number | 517894-64-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C(=O)OC(C)(C)C)C=O |
Product Overview
2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate (CAS 517894-64-3), with molecular formula C14H19NO5 and molecular weight 281.13 g/mol. IUPAC: 2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate.
Chemical Property Profile of 2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate
Property Insights of 2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate
The XLogP value of 2.26762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate. The TPSA of 85.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate. Following Lipinski's Rule of Five, 2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate has 1 hydrogen bond donor(s) and 5 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-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate?
The CAS number of 2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate is 517894-64-3.
What is the molecular formula of 2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate?
The molecular formula of 2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate is C14H19NO5.
What is the molecular weight of 2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate?
The molecular weight of 2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate is 281.13 g/mol.
Where can I buy 2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate?
You can request a quote for 2-O-tert-butyl 4-O-ethyl 5-formyl-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-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.