ethyl 5-(3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
TL;DR: ethyl 5-(3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 963-69-9) is a chemical compound with molecular formula C14H19NO5 and molecular weight 281.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: ethyl 5-(3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate, 2-bromo-1,5-naphthyridine, 5-(2-Ethoxycarbonyl-acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester, 5- -2,4-DIMETHYL-1H-PYRROLE-3-CARBOXYLICACIDETHYLESTER, ethyl 3-[4-(ethoxycarbonyl)-3,5-dimethylpyrrol-2-yl]-3-oxopropanoate
| Molecular Formula | C14H19NO5 |
|---|---|
| Molecular Weight | 281.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 85.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 281.1263 |
| Heavy Atoms | 20 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 963-69-9 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1=C(C(=C(N1)C)C(=O)OCC)C |
| InChIKey | DIQGPRUTKMOZHE-UHFFFAOYSA-N |
Product Overview
ethyl 5-(3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 963-69-9), with molecular formula C14H19NO5 and molecular weight 281.13 g/mol. IUPAC: ethyl 5-(3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of ethyl 5-(3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Property Insights of ethyl 5-(3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-(3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate. The TPSA of 85.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-(3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate has 1 hydrogen bond donor(s) and 5 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-(3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 5-(3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is 963-69-9.
What is the molecular formula of ethyl 5-(3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 5-(3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is C14H19NO5.
What is the molecular weight of ethyl 5-(3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 5-(3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is 281.13 g/mol.
Where can I buy ethyl 5-(3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 5-(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-(3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(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.