4-(p-Tolylcarbamoyl-methyl)-piperazine-1-carboxylic acid ethyl ester
TL;DR: 4-(p-Tolylcarbamoyl-methyl)-piperazine-1-carboxylic acid ethyl ester (CAS 32850-08-1) is a chemical compound with molecular formula C16H23N3O3 and molecular weight 305.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(4-methylanilino)-2-oxoethyl]piperazine-1-carboxylate
Also Known As: BAS 07119680, 4-(p-Tolylcarbamoyl-methyl)-piperazine-1-carboxylic acid ethyl ester, A2686/0114497, ethyl 4-(2-oxo-2-(p-tolylamino)ethyl)piperazine-1-carboxylate, ethyl 4-[2-(4-methylanilino)-2-oxoethyl]piperazine-1-carboxylate
| Molecular Formula | C16H23N3O3 |
|---|---|
| Molecular Weight | 305.17 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.17395 |
| Heavy Atoms | 22 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 32850-08-1 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC(=O)NC2=CC=C(C=C2)C |
| InChIKey | OWFFNDWJXNQDNR-UHFFFAOYSA-N |
Product Overview
4-(p-Tolylcarbamoyl-methyl)-piperazine-1-carboxylic acid ethyl ester (CAS 32850-08-1), with molecular formula C16H23N3O3 and molecular weight 305.17 g/mol. IUPAC: ethyl 4-[2-(4-methylanilino)-2-oxoethyl]piperazine-1-carboxylate.
Chemical Property Profile of 4-(p-Tolylcarbamoyl-methyl)-piperazine-1-carboxylic acid ethyl ester
Property Insights of 4-(p-Tolylcarbamoyl-methyl)-piperazine-1-carboxylic acid ethyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(p-Tolylcarbamoyl-methyl)-piperazine-1-carboxylic acid ethyl ester. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(p-Tolylcarbamoyl-methyl)-piperazine-1-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 4-(p-Tolylcarbamoyl-methyl)-piperazine-1-carboxylic acid ethyl ester 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 4-(p-Tolylcarbamoyl-methyl)-piperazine-1-carboxylic acid ethyl ester?
The CAS number of 4-(p-Tolylcarbamoyl-methyl)-piperazine-1-carboxylic acid ethyl ester is 32850-08-1.
What is the molecular formula of 4-(p-Tolylcarbamoyl-methyl)-piperazine-1-carboxylic acid ethyl ester?
The molecular formula of 4-(p-Tolylcarbamoyl-methyl)-piperazine-1-carboxylic acid ethyl ester is C16H23N3O3.
What is the molecular weight of 4-(p-Tolylcarbamoyl-methyl)-piperazine-1-carboxylic acid ethyl ester?
The molecular weight of 4-(p-Tolylcarbamoyl-methyl)-piperazine-1-carboxylic acid ethyl ester is 305.17 g/mol.
Where can I buy 4-(p-Tolylcarbamoyl-methyl)-piperazine-1-carboxylic acid ethyl ester?
You can request a quote for 4-(p-Tolylcarbamoyl-methyl)-piperazine-1-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(p-Tolylcarbamoyl-methyl)-piperazine-1-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-(p-Tolylcarbamoyl-methyl)-piperazine-1-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.