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Ethyl 4-[3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]piperazine-1-carboxylate
TL;DR: Ethyl 4-[3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]piperazine-1-carboxylate (CAS 442557-36-0) is a chemical compound with molecular formula C26H38N2O4 and molecular weight 442.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]piperazine-1-carboxylate
Also Known As: AF-399/41079787, F1134-0016, ethyl 4-[3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]piperazine-1-carboxylate, ethyl 4-(3-(4-(adamantan-1-yl)phenoxy)-2-hydroxypropyl)piperazine-1-carboxylate, Ethyl 4-[3-[4-(1-adamantyl)phenoxy]-2-hydroxy-propyl]piperazine-1-carboxylate
| Molecular Formula | C26H38N2O4 |
|---|---|
| Molecular Weight | 442.28 g/mol |
| LogP | 3.6682 |
| Topological Polar Surface Area | 62.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.28317 |
| Heavy Atoms | 32 |
| Complexity | 752.2373 |
Chemical Identifiers
| CAS Number | 442557-36-0 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC(COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O |
Product Overview
Ethyl 4-[3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]piperazine-1-carboxylate (CAS 442557-36-0), with molecular formula C26H38N2O4 and molecular weight 442.28 g/mol. IUPAC: ethyl 4-[3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-[3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]piperazine-1-carboxylate
Property Insights of Ethyl 4-[3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]piperazine-1-carboxylate
The XLogP value of 3.6682 indicates that Ethyl 4-[3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]piperazine-1-carboxylate 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-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]piperazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-[3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]piperazine-1-carboxylate 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-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]piperazine-1-carboxylate?
The CAS number of Ethyl 4-[3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]piperazine-1-carboxylate is 442557-36-0.
What is the molecular formula of Ethyl 4-[3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]piperazine-1-carboxylate?
The molecular formula of Ethyl 4-[3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]piperazine-1-carboxylate is C26H38N2O4.
What is the molecular weight of Ethyl 4-[3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]piperazine-1-carboxylate?
The molecular weight of Ethyl 4-[3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]piperazine-1-carboxylate is 442.28 g/mol.
Where can I buy Ethyl 4-[3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]piperazine-1-carboxylate?
You can request a quote for Ethyl 4-[3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]piperazine-1-carboxylate 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-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.