ethyl 4-tert-butyl-3,5-dimethyl-3H-pyrrole-2-carboxylate
TL;DR: ethyl 4-tert-butyl-3,5-dimethyl-3H-pyrrole-2-carboxylate (CAS 28991-95-9) is a chemical compound with molecular formula C13H21NO2 and molecular weight 223.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-tert-butyl-3,5-dimethyl-3H-pyrrole-2-carboxylate
Also Known As: ethyl 4-t-butyl-3,5-dimethyl-2-pyrrolecarboxylate, ethyl 4-tert-butyl-3,5-dimethyl-3H-pyrrole-2-carboxylate, 4-tert-Butyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester, ethyl 4-(tert-butyl)-3,5-dimethyl-3H-pyrrole-2-carboxylate
| Molecular Formula | C13H21NO2 |
|---|---|
| Molecular Weight | 223.16 g/mol |
| LogP | 2.9603 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.15723 |
| Heavy Atoms | 16 |
| Complexity | 358.6191 |
Chemical Identifiers
| CAS Number | 28991-95-9 |
|---|---|
| SMILES | CCOC(=O)C1=NC(=C(C1C)C(C)(C)C)C |
Product Overview
ethyl 4-tert-butyl-3,5-dimethyl-3H-pyrrole-2-carboxylate (CAS 28991-95-9), with molecular formula C13H21NO2 and molecular weight 223.16 g/mol. IUPAC: ethyl 4-tert-butyl-3,5-dimethyl-3H-pyrrole-2-carboxylate.
Chemical Property Profile of ethyl 4-tert-butyl-3,5-dimethyl-3H-pyrrole-2-carboxylate
Property Insights of ethyl 4-tert-butyl-3,5-dimethyl-3H-pyrrole-2-carboxylate
The XLogP value of 2.9603 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-tert-butyl-3,5-dimethyl-3H-pyrrole-2-carboxylate. With a topological polar surface area (TPSA) of 38.66 Ų, ethyl 4-tert-butyl-3,5-dimethyl-3H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-tert-butyl-3,5-dimethyl-3H-pyrrole-2-carboxylate has 0 hydrogen bond donor(s) and 3 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-3,5-dimethyl-3H-pyrrole-2-carboxylate?
The CAS number of ethyl 4-tert-butyl-3,5-dimethyl-3H-pyrrole-2-carboxylate is 28991-95-9.
What is the molecular formula of ethyl 4-tert-butyl-3,5-dimethyl-3H-pyrrole-2-carboxylate?
The molecular formula of ethyl 4-tert-butyl-3,5-dimethyl-3H-pyrrole-2-carboxylate is C13H21NO2.
What is the molecular weight of ethyl 4-tert-butyl-3,5-dimethyl-3H-pyrrole-2-carboxylate?
The molecular weight of ethyl 4-tert-butyl-3,5-dimethyl-3H-pyrrole-2-carboxylate is 223.16 g/mol.
Where can I buy ethyl 4-tert-butyl-3,5-dimethyl-3H-pyrrole-2-carboxylate?
You can request a quote for ethyl 4-tert-butyl-3,5-dimethyl-3H-pyrrole-2-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-3,5-dimethyl-3H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-tert-butyl-3,5-dimethyl-3H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.