Ethyl 4-tert-butyl-2-methyl-1h-pyrrole-3-carboxylate
TL;DR: Ethyl 4-tert-butyl-2-methyl-1h-pyrrole-3-carboxylate (CAS 6329-18-6) is a chemical compound with molecular formula C12H19NO2 and molecular weight 209.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-tert-butyl-2-methyl-1H-pyrrole-3-carboxylate
Also Known As: Benzyl-fumarsaeure, ethyl 4-tert-butyl-2-methyl-1h-pyrrole-3-carboxylate, Ethyl 4-(tert-butyl)-2-methyl-1H-pyrrole-3-carboxylate
| Molecular Formula | C12H19NO2 |
|---|---|
| Molecular Weight | 209.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.14159 |
| Heavy Atoms | 15 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 6329-18-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC=C1C(C)(C)C)C |
| InChIKey | MOVQLMIATIHTJD-UHFFFAOYSA-N |
Product Overview
Ethyl 4-tert-butyl-2-methyl-1h-pyrrole-3-carboxylate (CAS 6329-18-6), with molecular formula C12H19NO2 and molecular weight 209.14 g/mol. IUPAC: ethyl 4-tert-butyl-2-methyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of Ethyl 4-tert-butyl-2-methyl-1h-pyrrole-3-carboxylate
Property Insights of Ethyl 4-tert-butyl-2-methyl-1h-pyrrole-3-carboxylate
The XLogP value of 3.0 indicates that Ethyl 4-tert-butyl-2-methyl-1h-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.1 Ų, Ethyl 4-tert-butyl-2-methyl-1h-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-tert-butyl-2-methyl-1h-pyrrole-3-carboxylate has 1 hydrogen bond donor(s) and 2 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 4-tert-butyl-2-methyl-1h-pyrrole-3-carboxylate?
The CAS number of Ethyl 4-tert-butyl-2-methyl-1h-pyrrole-3-carboxylate is 6329-18-6.
What is the molecular formula of Ethyl 4-tert-butyl-2-methyl-1h-pyrrole-3-carboxylate?
The molecular formula of Ethyl 4-tert-butyl-2-methyl-1h-pyrrole-3-carboxylate is C12H19NO2.
What is the molecular weight of Ethyl 4-tert-butyl-2-methyl-1h-pyrrole-3-carboxylate?
The molecular weight of Ethyl 4-tert-butyl-2-methyl-1h-pyrrole-3-carboxylate is 209.14 g/mol.
Where can I buy Ethyl 4-tert-butyl-2-methyl-1h-pyrrole-3-carboxylate?
You can request a quote for Ethyl 4-tert-butyl-2-methyl-1h-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-tert-butyl-2-methyl-1h-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-tert-butyl-2-methyl-1h-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.