ethyl 5-(2-amino-3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
TL;DR: ethyl 5-(2-amino-3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 24744-71-6) is a chemical compound with molecular formula C14H20N2O5 and molecular weight 296.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(2-amino-3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: ethyl 5-(2-amino-3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate, 1H-Pyrrole-2-propanoicacid, a-amino-4-(ethoxycarbonyl)-3,5-dimethyl-b-oxo-, ethyl ester, hydrochloride(1:1), 1H-Pyrrole-2-propanoicacid,a-amino-4-(ethoxycarbonyl)-3,5-dimethyl-b-oxo-,ethyl ester,hydrochloride(1:1)
| Molecular Formula | C14H20N2O5 |
|---|---|
| Molecular Weight | 296.14 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 296.1372 |
| Heavy Atoms | 21 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 24744-71-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C(=O)C(C(=O)OCC)N)C |
| InChIKey | UMSSHFZUEJHCQM-UHFFFAOYSA-N |
Product Overview
ethyl 5-(2-amino-3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 24744-71-6), with molecular formula C14H20N2O5 and molecular weight 296.14 g/mol. IUPAC: ethyl 5-(2-amino-3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of ethyl 5-(2-amino-3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Property Insights of ethyl 5-(2-amino-3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-(2-amino-3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(2-amino-3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-(2-amino-3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate has 2 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 5-(2-amino-3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 5-(2-amino-3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is 24744-71-6.
What is the molecular formula of ethyl 5-(2-amino-3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 5-(2-amino-3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is C14H20N2O5.
What is the molecular weight of ethyl 5-(2-amino-3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 5-(2-amino-3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is 296.14 g/mol.
Where can I buy ethyl 5-(2-amino-3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 5-(2-amino-3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-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-(2-amino-3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(2-amino-3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.