ethyl 4-{3-[2-(1-adamantyl)ethoxy]-2-hydroxypropyl}-1-piperazinecarboxylate hydrochloride
TL;DR: ethyl 4-{3-[2-(1-adamantyl)ethoxy]-2-hydroxypropyl}-1-piperazinecarboxylate hydrochloride (CAS 474255-32-8) is a chemical compound with molecular formula C22H39ClN2O4 and molecular weight 430.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-[2-(1-adamantyl)ethoxy]-2-hydroxypropyl]piperazine-1-carboxylate;hydrochloride
Also Known As: ethyl 4-{3-[2-(1-adamantyl)ethoxy]-2-hydroxypropyl}-1-piperazinecarboxylate hydrochloride, ethyl 4-(3-(2-((3r,5r,7r)-adamantan-1-yl)ethoxy)-2-hydroxypropyl)piperazine-1-carboxylate hydrochloride, ETHYL 4-{3-[2-(ADAMANTAN-1-YL)ETHOXY]-2-HYDROXYPROPYL}PIPERAZINE-1-CARBOXYLATE HYDROCHLORIDE, ethyl 4-[3-[2-(1-adamantyl)ethoxy]-2-hydroxypropyl]piperazine-1-carboxylate hydrochloride, ethyl 4-[3-[2-(1-adamantyl)ethoxy]-2-hydroxypropyl]piperazine-1-carboxylate;hydrochloride
| Molecular Formula | C22H39ClN2O4 |
|---|---|
| Molecular Weight | 430.26 g/mol |
| LogP | 3.1663 |
| Topological Polar Surface Area | 62.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 430.25983 |
| Heavy Atoms | 29 |
| Complexity | 503.6211 |
Chemical Identifiers
| CAS Number | 474255-32-8 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC(COCCC23CC4CC(C2)CC(C4)C3)O.Cl |
Product Overview
ethyl 4-{3-[2-(1-adamantyl)ethoxy]-2-hydroxypropyl}-1-piperazinecarboxylate hydrochloride (CAS 474255-32-8), with molecular formula C22H39ClN2O4 and molecular weight 430.26 g/mol. IUPAC: ethyl 4-[3-[2-(1-adamantyl)ethoxy]-2-hydroxypropyl]piperazine-1-carboxylate;hydrochloride.
Chemical Property Profile of ethyl 4-{3-[2-(1-adamantyl)ethoxy]-2-hydroxypropyl}-1-piperazinecarboxylate hydrochloride
Property Insights of ethyl 4-{3-[2-(1-adamantyl)ethoxy]-2-hydroxypropyl}-1-piperazinecarboxylate hydrochloride
The XLogP value of 3.1663 indicates that ethyl 4-{3-[2-(1-adamantyl)ethoxy]-2-hydroxypropyl}-1-piperazinecarboxylate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.24 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{3-[2-(1-adamantyl)ethoxy]-2-hydroxypropyl}-1-piperazinecarboxylate hydrochloride. Following Lipinski's Rule of Five, ethyl 4-{3-[2-(1-adamantyl)ethoxy]-2-hydroxypropyl}-1-piperazinecarboxylate hydrochloride 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 4-{3-[2-(1-adamantyl)ethoxy]-2-hydroxypropyl}-1-piperazinecarboxylate hydrochloride?
The CAS number of ethyl 4-{3-[2-(1-adamantyl)ethoxy]-2-hydroxypropyl}-1-piperazinecarboxylate hydrochloride is 474255-32-8.
What is the molecular formula of ethyl 4-{3-[2-(1-adamantyl)ethoxy]-2-hydroxypropyl}-1-piperazinecarboxylate hydrochloride?
The molecular formula of ethyl 4-{3-[2-(1-adamantyl)ethoxy]-2-hydroxypropyl}-1-piperazinecarboxylate hydrochloride is C22H39ClN2O4.
What is the molecular weight of ethyl 4-{3-[2-(1-adamantyl)ethoxy]-2-hydroxypropyl}-1-piperazinecarboxylate hydrochloride?
The molecular weight of ethyl 4-{3-[2-(1-adamantyl)ethoxy]-2-hydroxypropyl}-1-piperazinecarboxylate hydrochloride is 430.26 g/mol.
Where can I buy ethyl 4-{3-[2-(1-adamantyl)ethoxy]-2-hydroxypropyl}-1-piperazinecarboxylate hydrochloride?
You can request a quote for ethyl 4-{3-[2-(1-adamantyl)ethoxy]-2-hydroxypropyl}-1-piperazinecarboxylate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-{3-[2-(1-adamantyl)ethoxy]-2-hydroxypropyl}-1-piperazinecarboxylate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{3-[2-(1-adamantyl)ethoxy]-2-hydroxypropyl}-1-piperazinecarboxylate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.