Ethyl 4-(adamantanylcarbonyl)piperazinecarboxylate
TL;DR: Ethyl 4-(adamantanylcarbonyl)piperazinecarboxylate (CAS 332037-25-9) is a chemical compound with molecular formula C18H28N2O3 and molecular weight 320.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate
Also Known As: BAS 00847493, ethyl 4-(adamantanylcarbonyl)piperazinecarboxylate, ethyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate, ethyl 4-(1-adamantylcarbonyl)-1-piperazinecarboxylate, 4-(Adamantane-1-carbonyl)-piperazine-1-carboxylic acid ethyl ester
| Molecular Formula | C18H28N2O3 |
|---|---|
| Molecular Weight | 320.21 g/mol |
| LogP | 2.5035 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.21 |
| Heavy Atoms | 23 |
| Complexity | 461.21097 |
Chemical Identifiers
| CAS Number | 332037-25-9 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)C23CC4CC(C2)CC(C4)C3 |
Product Overview
Ethyl 4-(adamantanylcarbonyl)piperazinecarboxylate (CAS 332037-25-9), with molecular formula C18H28N2O3 and molecular weight 320.21 g/mol. IUPAC: ethyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-(adamantanylcarbonyl)piperazinecarboxylate
Property Insights of Ethyl 4-(adamantanylcarbonyl)piperazinecarboxylate
The XLogP value of 2.5035 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(adamantanylcarbonyl)piperazinecarboxylate. With a topological polar surface area (TPSA) of 49.85 Ų, Ethyl 4-(adamantanylcarbonyl)piperazinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(adamantanylcarbonyl)piperazinecarboxylate has 0 hydrogen bond donor(s) and 3 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-(adamantanylcarbonyl)piperazinecarboxylate?
The CAS number of Ethyl 4-(adamantanylcarbonyl)piperazinecarboxylate is 332037-25-9.
What is the molecular formula of Ethyl 4-(adamantanylcarbonyl)piperazinecarboxylate?
The molecular formula of Ethyl 4-(adamantanylcarbonyl)piperazinecarboxylate is C18H28N2O3.
What is the molecular weight of Ethyl 4-(adamantanylcarbonyl)piperazinecarboxylate?
The molecular weight of Ethyl 4-(adamantanylcarbonyl)piperazinecarboxylate is 320.21 g/mol.
Where can I buy Ethyl 4-(adamantanylcarbonyl)piperazinecarboxylate?
You can request a quote for Ethyl 4-(adamantanylcarbonyl)piperazinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(adamantanylcarbonyl)piperazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(adamantanylcarbonyl)piperazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.