Ethyl 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)-2-cyanoacetate hydrochloride
TL;DR: Ethyl 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)-2-cyanoacetate hydrochloride (CAS 470472-86-7) is a chemical compound with molecular formula C20H29ClN2O2 and molecular weight 364.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)-2-cyanoacetate;hydrochloride
Also Known As: ethyl 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)-2-cyanoacetate hydrochloride, Ethyl 2-(4-benzyl-1,2,5-trimethyl-4-piperidyl)-2-cyano-acetate Hydrochloride
| Molecular Formula | C20H29ClN2O2 |
|---|---|
| Molecular Weight | 364.19 g/mol |
| LogP | 3.70028 |
| Topological Polar Surface Area | 53.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.19174 |
| Heavy Atoms | 25 |
| Complexity | 601.46375 |
Chemical Identifiers
| CAS Number | 470472-86-7 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C1(CC(N(CC1C)C)C)CC2=CC=CC=C2.Cl |
Product Overview
Ethyl 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)-2-cyanoacetate hydrochloride (CAS 470472-86-7), with molecular formula C20H29ClN2O2 and molecular weight 364.19 g/mol. IUPAC: ethyl 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)-2-cyanoacetate;hydrochloride.
Chemical Property Profile of Ethyl 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)-2-cyanoacetate hydrochloride
Property Insights of Ethyl 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)-2-cyanoacetate hydrochloride
The XLogP value of 3.70028 indicates that Ethyl 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)-2-cyanoacetate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.33 Ų, Ethyl 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)-2-cyanoacetate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)-2-cyanoacetate hydrochloride has 0 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 Ethyl 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)-2-cyanoacetate hydrochloride?
The CAS number of Ethyl 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)-2-cyanoacetate hydrochloride is 470472-86-7.
What is the molecular formula of Ethyl 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)-2-cyanoacetate hydrochloride?
The molecular formula of Ethyl 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)-2-cyanoacetate hydrochloride is C20H29ClN2O2.
What is the molecular weight of Ethyl 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)-2-cyanoacetate hydrochloride?
The molecular weight of Ethyl 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)-2-cyanoacetate hydrochloride is 364.19 g/mol.
Where can I buy Ethyl 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)-2-cyanoacetate hydrochloride?
You can request a quote for Ethyl 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)-2-cyanoacetate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)-2-cyanoacetate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)-2-cyanoacetate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.