Ethyl 1-(4-hydroxy-3,5-diisopropylbenzyl)-4-piperidinecarboxylate
TL;DR: Ethyl 1-(4-hydroxy-3,5-diisopropylbenzyl)-4-piperidinecarboxylate (CAS 347381-88-8) is a chemical compound with molecular formula C21H33NO3 and molecular weight 347.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]piperidine-4-carboxylate
Also Known As: ethyl 1-(4-hydroxy-3,5-diisopropylbenzyl)-4-piperidinecarboxylate, Ethyl 1-(3,5-diisopropylbenZyl)-4-piperidinecarboxylate, J1.518.673I, ethyl 1-{[4-hydroxy-3,5-bis(propan-2-yl)phenyl]methyl}piperidine-4-carboxylate, ethyl 1-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]piperidine-4-carboxylate
| Molecular Formula | C21H33NO3 |
|---|---|
| Molecular Weight | 347.25 g/mol |
| LogP | 4.4141 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.24603 |
| Heavy Atoms | 25 |
| Complexity | 557.79913 |
Chemical Identifiers
| CAS Number | 347381-88-8 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)CC2=CC(=C(C(=C2)C(C)C)O)C(C)C |
Product Overview
Ethyl 1-(4-hydroxy-3,5-diisopropylbenzyl)-4-piperidinecarboxylate (CAS 347381-88-8), with molecular formula C21H33NO3 and molecular weight 347.25 g/mol. IUPAC: ethyl 1-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]piperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-(4-hydroxy-3,5-diisopropylbenzyl)-4-piperidinecarboxylate
Property Insights of Ethyl 1-(4-hydroxy-3,5-diisopropylbenzyl)-4-piperidinecarboxylate
The XLogP value of 4.4141 indicates that Ethyl 1-(4-hydroxy-3,5-diisopropylbenzyl)-4-piperidinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.77 Ų, Ethyl 1-(4-hydroxy-3,5-diisopropylbenzyl)-4-piperidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-(4-hydroxy-3,5-diisopropylbenzyl)-4-piperidinecarboxylate 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 Ethyl 1-(4-hydroxy-3,5-diisopropylbenzyl)-4-piperidinecarboxylate?
The CAS number of Ethyl 1-(4-hydroxy-3,5-diisopropylbenzyl)-4-piperidinecarboxylate is 347381-88-8.
What is the molecular formula of Ethyl 1-(4-hydroxy-3,5-diisopropylbenzyl)-4-piperidinecarboxylate?
The molecular formula of Ethyl 1-(4-hydroxy-3,5-diisopropylbenzyl)-4-piperidinecarboxylate is C21H33NO3.
What is the molecular weight of Ethyl 1-(4-hydroxy-3,5-diisopropylbenzyl)-4-piperidinecarboxylate?
The molecular weight of Ethyl 1-(4-hydroxy-3,5-diisopropylbenzyl)-4-piperidinecarboxylate is 347.25 g/mol.
Where can I buy Ethyl 1-(4-hydroxy-3,5-diisopropylbenzyl)-4-piperidinecarboxylate?
You can request a quote for Ethyl 1-(4-hydroxy-3,5-diisopropylbenzyl)-4-piperidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(4-hydroxy-3,5-diisopropylbenzyl)-4-piperidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(4-hydroxy-3,5-diisopropylbenzyl)-4-piperidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.