Ethyl 4-(2-ethoxy-2-oxoethyl)-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylate
TL;DR: Ethyl 4-(2-ethoxy-2-oxoethyl)-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylate (CAS 17266-35-2) is a chemical compound with molecular formula C17H25NO6 and molecular weight 339.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-ethoxy-2-oxoethyl)-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylate
Also Known As: Ethyl 4-(2-ethoxy-2-oxoethyl)-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylate, 1H-Pyrrole-3-propanoic acid, 2-(ethoxycarbonyl)-4-(2-ethoxy-2-oxoethyl )-5-methyl-, ethyl ester, ETHYL 2-(ETHOXYCARBONYL)-4-(ETHOXYCARBONYLMETHYL)-5-METHYL-3-PYRROLEPROPIONATE, 1H-Pyrrole-3-propanoic acid, 2-(ethoxycarbonyl)-4-(2-ethoxy-2-oxoethyl)-5-methyl-, ethyl ester, Ethyl 4-(2-ethoxy-2-oxoethyl)-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylate #
| Molecular Formula | C17H25NO6 |
|---|---|
| Molecular Weight | 339.17 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 94.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 339.16818 |
| Heavy Atoms | 24 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 17266-35-2 |
|---|---|
| SMILES | CCOC(=O)CCC1=C(NC(=C1CC(=O)OCC)C)C(=O)OCC |
| InChIKey | ZKEWMIDIFRFCSF-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(2-ethoxy-2-oxoethyl)-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylate (CAS 17266-35-2), with molecular formula C17H25NO6 and molecular weight 339.17 g/mol. IUPAC: ethyl 4-(2-ethoxy-2-oxoethyl)-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of Ethyl 4-(2-ethoxy-2-oxoethyl)-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylate
Property Insights of Ethyl 4-(2-ethoxy-2-oxoethyl)-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(2-ethoxy-2-oxoethyl)-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylate. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(2-ethoxy-2-oxoethyl)-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(2-ethoxy-2-oxoethyl)-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylate has 1 hydrogen bond donor(s) and 6 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-(2-ethoxy-2-oxoethyl)-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylate?
The CAS number of Ethyl 4-(2-ethoxy-2-oxoethyl)-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylate is 17266-35-2.
What is the molecular formula of Ethyl 4-(2-ethoxy-2-oxoethyl)-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylate?
The molecular formula of Ethyl 4-(2-ethoxy-2-oxoethyl)-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylate is C17H25NO6.
What is the molecular weight of Ethyl 4-(2-ethoxy-2-oxoethyl)-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylate?
The molecular weight of Ethyl 4-(2-ethoxy-2-oxoethyl)-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylate is 339.17 g/mol.
Where can I buy Ethyl 4-(2-ethoxy-2-oxoethyl)-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylate?
You can request a quote for Ethyl 4-(2-ethoxy-2-oxoethyl)-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-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-(2-ethoxy-2-oxoethyl)-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2-ethoxy-2-oxoethyl)-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.