Ethyl 1-acetyl-2-methyl-3-indolizinecarboxylate
TL;DR: Ethyl 1-acetyl-2-methyl-3-indolizinecarboxylate (CAS 36766-57-1) is a chemical compound with molecular formula C14H15NO3 and molecular weight 245.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-acetyl-2-methylindolizine-3-carboxylate
Also Known As: Ethyl 1-acetyl-2-methyl-3-indolizinecarboxylate, ethyl 1-acetyl-2-methylindolizine-3-carboxylate, ETHYL 1-ACETYL-2-METHYL-INDOLIZINE-3-CARBOXYLATE, 3-Indolizinecarboxylic acid, 1-acetyl-2-methyl-, ethyl ester, RefChem:138474
| Molecular Formula | C14H15NO3 |
|---|---|
| Molecular Weight | 245.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.1052 |
| Heavy Atoms | 18 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 36766-57-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C2N1C=CC=C2)C(=O)C)C |
| InChIKey | MVWRSFQRZVNNPK-UHFFFAOYSA-N |
Product Overview
Ethyl 1-acetyl-2-methyl-3-indolizinecarboxylate (CAS 36766-57-1), with molecular formula C14H15NO3 and molecular weight 245.11 g/mol. IUPAC: ethyl 1-acetyl-2-methylindolizine-3-carboxylate.
Chemical Property Profile of Ethyl 1-acetyl-2-methyl-3-indolizinecarboxylate
Property Insights of Ethyl 1-acetyl-2-methyl-3-indolizinecarboxylate
The XLogP value of 3.1 indicates that Ethyl 1-acetyl-2-methyl-3-indolizinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.8 Ų, Ethyl 1-acetyl-2-methyl-3-indolizinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-acetyl-2-methyl-3-indolizinecarboxylate has 0 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-acetyl-2-methyl-3-indolizinecarboxylate?
The CAS number of Ethyl 1-acetyl-2-methyl-3-indolizinecarboxylate is 36766-57-1.
What is the molecular formula of Ethyl 1-acetyl-2-methyl-3-indolizinecarboxylate?
The molecular formula of Ethyl 1-acetyl-2-methyl-3-indolizinecarboxylate is C14H15NO3.
What is the molecular weight of Ethyl 1-acetyl-2-methyl-3-indolizinecarboxylate?
The molecular weight of Ethyl 1-acetyl-2-methyl-3-indolizinecarboxylate is 245.11 g/mol.
Where can I buy Ethyl 1-acetyl-2-methyl-3-indolizinecarboxylate?
You can request a quote for Ethyl 1-acetyl-2-methyl-3-indolizinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-acetyl-2-methyl-3-indolizinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-acetyl-2-methyl-3-indolizinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.