Ethyl 5-(2-azaperhydroepinylacetyl)-2,4-dimethylpyrrole-3-carboxylate
TL;DR: Ethyl 5-(2-azaperhydroepinylacetyl)-2,4-dimethylpyrrole-3-carboxylate (CAS 304683-87-2) is a chemical compound with molecular formula C17H26N2O3 and molecular weight 306.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[2-(azepan-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: AE-848/12560206, Ethyl 5-[2-(azepan-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate, ethyl 5-(1-azepanylacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate, ethyl 5-(2-azaperhydroepinylacetyl)-2,4-dimethylpyrrole-3-carboxylate, 1H-Pyrrole-3-carboxylic acid, 5-[(hexahydro-1H-azepin-1-yl)acetyl]-2,4-dimethyl-, ethyl ester (9CI)
| Molecular Formula | C17H26N2O3 |
|---|---|
| Molecular Weight | 306.19 g/mol |
| LogP | 2.86694 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.19434 |
| Heavy Atoms | 22 |
| Complexity | 540.3441 |
Chemical Identifiers
| CAS Number | 304683-87-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C(=O)CN2CCCCCC2)C |
Product Overview
Ethyl 5-(2-azaperhydroepinylacetyl)-2,4-dimethylpyrrole-3-carboxylate (CAS 304683-87-2), with molecular formula C17H26N2O3 and molecular weight 306.19 g/mol. IUPAC: ethyl 5-[2-(azepan-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of Ethyl 5-(2-azaperhydroepinylacetyl)-2,4-dimethylpyrrole-3-carboxylate
Property Insights of Ethyl 5-(2-azaperhydroepinylacetyl)-2,4-dimethylpyrrole-3-carboxylate
The XLogP value of 2.86694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-(2-azaperhydroepinylacetyl)-2,4-dimethylpyrrole-3-carboxylate. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-(2-azaperhydroepinylacetyl)-2,4-dimethylpyrrole-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-(2-azaperhydroepinylacetyl)-2,4-dimethylpyrrole-3-carboxylate has 1 hydrogen bond donor(s) and 4 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-(2-azaperhydroepinylacetyl)-2,4-dimethylpyrrole-3-carboxylate?
The CAS number of Ethyl 5-(2-azaperhydroepinylacetyl)-2,4-dimethylpyrrole-3-carboxylate is 304683-87-2.
What is the molecular formula of Ethyl 5-(2-azaperhydroepinylacetyl)-2,4-dimethylpyrrole-3-carboxylate?
The molecular formula of Ethyl 5-(2-azaperhydroepinylacetyl)-2,4-dimethylpyrrole-3-carboxylate is C17H26N2O3.
What is the molecular weight of Ethyl 5-(2-azaperhydroepinylacetyl)-2,4-dimethylpyrrole-3-carboxylate?
The molecular weight of Ethyl 5-(2-azaperhydroepinylacetyl)-2,4-dimethylpyrrole-3-carboxylate is 306.19 g/mol.
Where can I buy Ethyl 5-(2-azaperhydroepinylacetyl)-2,4-dimethylpyrrole-3-carboxylate?
You can request a quote for Ethyl 5-(2-azaperhydroepinylacetyl)-2,4-dimethylpyrrole-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-(2-azaperhydroepinylacetyl)-2,4-dimethylpyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(2-azaperhydroepinylacetyl)-2,4-dimethylpyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.