Ethyl 2-(((1-adamantyl(methyl)amino)carbonyl)amino)propanoate
TL;DR: Ethyl 2-(((1-adamantyl(methyl)amino)carbonyl)amino)propanoate (CAS 33396-49-5) is a chemical compound with molecular formula C17H28N2O3 and molecular weight 308.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[1-adamantyl(methyl)carbamoyl]amino]propanoate
Also Known As: CC 9095, Ethyl 2-(((1-adamantyl(methyl)amino)carbonyl)amino)propanoate, NCI60_001752, ethyl 2-[[1-adamantyl(methyl)carbamoyl]amino]propanoate, ethyl 2-[(1-adamantyl-methyl-carbamoyl)amino]propanoate
| Molecular Formula | C17H28N2O3 |
|---|---|
| Molecular Weight | 308.21 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.21 |
| Heavy Atoms | 22 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 33396-49-5 |
|---|---|
| SMILES | CCOC(=O)C(C)NC(=O)N(C)C12CC3CC(C1)CC(C3)C2 |
| InChIKey | BQMZASIEUOBBES-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(((1-adamantyl(methyl)amino)carbonyl)amino)propanoate (CAS 33396-49-5), with molecular formula C17H28N2O3 and molecular weight 308.21 g/mol. IUPAC: ethyl 2-[[1-adamantyl(methyl)carbamoyl]amino]propanoate.
Chemical Property Profile of Ethyl 2-(((1-adamantyl(methyl)amino)carbonyl)amino)propanoate
Property Insights of Ethyl 2-(((1-adamantyl(methyl)amino)carbonyl)amino)propanoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(((1-adamantyl(methyl)amino)carbonyl)amino)propanoate. With a topological polar surface area (TPSA) of 58.6 Ų, Ethyl 2-(((1-adamantyl(methyl)amino)carbonyl)amino)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(((1-adamantyl(methyl)amino)carbonyl)amino)propanoate has 1 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 2-(((1-adamantyl(methyl)amino)carbonyl)amino)propanoate?
The CAS number of Ethyl 2-(((1-adamantyl(methyl)amino)carbonyl)amino)propanoate is 33396-49-5.
What is the molecular formula of Ethyl 2-(((1-adamantyl(methyl)amino)carbonyl)amino)propanoate?
The molecular formula of Ethyl 2-(((1-adamantyl(methyl)amino)carbonyl)amino)propanoate is C17H28N2O3.
What is the molecular weight of Ethyl 2-(((1-adamantyl(methyl)amino)carbonyl)amino)propanoate?
The molecular weight of Ethyl 2-(((1-adamantyl(methyl)amino)carbonyl)amino)propanoate is 308.21 g/mol.
Where can I buy Ethyl 2-(((1-adamantyl(methyl)amino)carbonyl)amino)propanoate?
You can request a quote for Ethyl 2-(((1-adamantyl(methyl)amino)carbonyl)amino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(((1-adamantyl(methyl)amino)carbonyl)amino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(((1-adamantyl(methyl)amino)carbonyl)amino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.