ethyl 5-(tert-butyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylate
TL;DR: ethyl 5-(tert-butyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylate (CAS 175276-55-8) is a chemical compound with molecular formula C18H23NO2 and molecular weight 285.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-tert-butyl-2-methyl-1-phenylpyrrole-3-carboxylate
Also Known As: ethyl 5-(tert-butyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylate, ethyl 5-tert-butyl-2-methyl-1-phenylpyrrole-3-carboxylate, ethyl 5-tert-butyl-2-methyl-1-phenyl-1H-pyrrole-3-carboxylate, I14-34852, 1H-Pyrrole-3-carboxylic acid, 5-(1,1-dimethylethyl)-2-methyl-1-phenyl-, ethyl ester
| Molecular Formula | C18H23NO2 |
|---|---|
| Molecular Weight | 285.17 g/mol |
| LogP | 4.25992 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.17288 |
| Heavy Atoms | 21 |
| Complexity | 633.2282 |
Chemical Identifiers
| CAS Number | 175276-55-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=C1)C(C)(C)C)C2=CC=CC=C2)C |
Product Overview
ethyl 5-(tert-butyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylate (CAS 175276-55-8), with molecular formula C18H23NO2 and molecular weight 285.17 g/mol. IUPAC: ethyl 5-tert-butyl-2-methyl-1-phenylpyrrole-3-carboxylate.
Chemical Property Profile of ethyl 5-(tert-butyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylate
Property Insights of ethyl 5-(tert-butyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylate
The XLogP value of 4.25992 indicates that ethyl 5-(tert-butyl)-2-methyl-1-phenyl-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 31.23 Ų, ethyl 5-(tert-butyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 5-(tert-butyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylate has 0 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 5-(tert-butyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 5-(tert-butyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylate is 175276-55-8.
What is the molecular formula of ethyl 5-(tert-butyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 5-(tert-butyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylate is C18H23NO2.
What is the molecular weight of ethyl 5-(tert-butyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 5-(tert-butyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylate is 285.17 g/mol.
Where can I buy ethyl 5-(tert-butyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 5-(tert-butyl)-2-methyl-1-phenyl-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 5-(tert-butyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(tert-butyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.