Ethyl 1,3,5-trimethyl-4-(3-methylbutylcarbamoyl)pyrrole-2-carboxylate
TL;DR: Ethyl 1,3,5-trimethyl-4-(3-methylbutylcarbamoyl)pyrrole-2-carboxylate (CAS 847462-52-6) is a chemical compound with molecular formula C16H26N2O3 and molecular weight 294.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1,3,5-trimethyl-4-(3-methylbutylcarbamoyl)pyrrole-2-carboxylate
Also Known As: Ethyl 1,3,5-trimethyl-4-(3-methylbutylcarbamoyl)pyrrole-2-carboxylate, F0672-0299, ethyl 4-(isopentylcarbamoyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate, ETHYL 1,3,5-TRIMETHYL-4-[(3-METHYLBUTYL)CARBAMOYL]-1H-PYRROLE-2-CARBOXYLATE
| Molecular Formula | C16H26N2O3 |
|---|---|
| Molecular Weight | 294.19 g/mol |
| LogP | 2.59454 |
| Topological Polar Surface Area | 60.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 294.19434 |
| Heavy Atoms | 21 |
| Complexity | 530.1147 |
Chemical Identifiers
| CAS Number | 847462-52-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1C)C)C(=O)NCCC(C)C)C |
Product Overview
Ethyl 1,3,5-trimethyl-4-(3-methylbutylcarbamoyl)pyrrole-2-carboxylate (CAS 847462-52-6), with molecular formula C16H26N2O3 and molecular weight 294.19 g/mol. IUPAC: ethyl 1,3,5-trimethyl-4-(3-methylbutylcarbamoyl)pyrrole-2-carboxylate.
Chemical Property Profile of Ethyl 1,3,5-trimethyl-4-(3-methylbutylcarbamoyl)pyrrole-2-carboxylate
Property Insights of Ethyl 1,3,5-trimethyl-4-(3-methylbutylcarbamoyl)pyrrole-2-carboxylate
The XLogP value of 2.59454 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1,3,5-trimethyl-4-(3-methylbutylcarbamoyl)pyrrole-2-carboxylate. The TPSA of 60.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1,3,5-trimethyl-4-(3-methylbutylcarbamoyl)pyrrole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 1,3,5-trimethyl-4-(3-methylbutylcarbamoyl)pyrrole-2-carboxylate has 1 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 1,3,5-trimethyl-4-(3-methylbutylcarbamoyl)pyrrole-2-carboxylate?
The CAS number of Ethyl 1,3,5-trimethyl-4-(3-methylbutylcarbamoyl)pyrrole-2-carboxylate is 847462-52-6.
What is the molecular formula of Ethyl 1,3,5-trimethyl-4-(3-methylbutylcarbamoyl)pyrrole-2-carboxylate?
The molecular formula of Ethyl 1,3,5-trimethyl-4-(3-methylbutylcarbamoyl)pyrrole-2-carboxylate is C16H26N2O3.
What is the molecular weight of Ethyl 1,3,5-trimethyl-4-(3-methylbutylcarbamoyl)pyrrole-2-carboxylate?
The molecular weight of Ethyl 1,3,5-trimethyl-4-(3-methylbutylcarbamoyl)pyrrole-2-carboxylate is 294.19 g/mol.
Where can I buy Ethyl 1,3,5-trimethyl-4-(3-methylbutylcarbamoyl)pyrrole-2-carboxylate?
You can request a quote for Ethyl 1,3,5-trimethyl-4-(3-methylbutylcarbamoyl)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 1,3,5-trimethyl-4-(3-methylbutylcarbamoyl)pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,3,5-trimethyl-4-(3-methylbutylcarbamoyl)pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.