Ethyl 4-(2-(2-methylindolin-1-yl)-2-oxoethyl)piperazine-1-carboxylate oxalate
TL;DR: Ethyl 4-(2-(2-methylindolin-1-yl)-2-oxoethyl)piperazine-1-carboxylate oxalate (CAS 1164500-54-2) is a chemical compound with molecular formula C20H27N3O7 and molecular weight 421.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazine-1-carboxylate;oxalic acid
Also Known As: ethyl 4-(2-(2-methylindolin-1-yl)-2-oxoethyl)piperazine-1-carboxylate oxalate, ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazine-1-carboxylate; oxalic acid
| Molecular Formula | C20H27N3O7 |
|---|---|
| Molecular Weight | 421.18 g/mol |
| LogP | 0.8939 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.1849 |
| Heavy Atoms | 30 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 1164500-54-2 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC(=O)N2C(CC3=CC=CC=C32)C.C(=O)(C(=O)O)O |
| InChIKey | NUZSXYUVFSUFDZ-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(2-(2-methylindolin-1-yl)-2-oxoethyl)piperazine-1-carboxylate oxalate (CAS 1164500-54-2), with molecular formula C20H27N3O7 and molecular weight 421.18 g/mol. IUPAC: ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazine-1-carboxylate;oxalic acid.
Chemical Property Profile of Ethyl 4-(2-(2-methylindolin-1-yl)-2-oxoethyl)piperazine-1-carboxylate oxalate
Property Insights of Ethyl 4-(2-(2-methylindolin-1-yl)-2-oxoethyl)piperazine-1-carboxylate oxalate
The XLogP value of 0.8939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(2-(2-methylindolin-1-yl)-2-oxoethyl)piperazine-1-carboxylate oxalate. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(2-(2-methylindolin-1-yl)-2-oxoethyl)piperazine-1-carboxylate oxalate. Following Lipinski's Rule of Five, Ethyl 4-(2-(2-methylindolin-1-yl)-2-oxoethyl)piperazine-1-carboxylate oxalate has 2 hydrogen bond donor(s) and 8 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-(2-methylindolin-1-yl)-2-oxoethyl)piperazine-1-carboxylate oxalate?
The CAS number of Ethyl 4-(2-(2-methylindolin-1-yl)-2-oxoethyl)piperazine-1-carboxylate oxalate is 1164500-54-2.
What is the molecular formula of Ethyl 4-(2-(2-methylindolin-1-yl)-2-oxoethyl)piperazine-1-carboxylate oxalate?
The molecular formula of Ethyl 4-(2-(2-methylindolin-1-yl)-2-oxoethyl)piperazine-1-carboxylate oxalate is C20H27N3O7.
What is the molecular weight of Ethyl 4-(2-(2-methylindolin-1-yl)-2-oxoethyl)piperazine-1-carboxylate oxalate?
The molecular weight of Ethyl 4-(2-(2-methylindolin-1-yl)-2-oxoethyl)piperazine-1-carboxylate oxalate is 421.18 g/mol.
Where can I buy Ethyl 4-(2-(2-methylindolin-1-yl)-2-oxoethyl)piperazine-1-carboxylate oxalate?
You can request a quote for Ethyl 4-(2-(2-methylindolin-1-yl)-2-oxoethyl)piperazine-1-carboxylate oxalate 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-(2-methylindolin-1-yl)-2-oxoethyl)piperazine-1-carboxylate oxalate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2-(2-methylindolin-1-yl)-2-oxoethyl)piperazine-1-carboxylate oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.