Ethyl (((1-adamantyl(ethyl)amino)carbonyl)amino)acetate
TL;DR: Ethyl (((1-adamantyl(ethyl)amino)carbonyl)amino)acetate (CAS 33205-91-3) 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(ethyl)carbamoyl]amino]acetate
Also Known As: Ethyl (((1-adamantyl(ethyl)amino)carbonyl)amino)acetate, ethyl 2-[[1-adamantyl(ethyl)carbamoyl]amino]acetate, NCI60_001751, Ethyl N-[(adamantan-1-yl)(ethyl)carbamoyl]glycinate, GLYCINE, N-(1-ADAMANTYLETHYLCARBAMOYL)-, ETHYL ESTER
| 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 | 6 |
| Exact Mass | 308.21 |
| Heavy Atoms | 22 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 33205-91-3 |
|---|---|
| SMILES | CCN(C(=O)NCC(=O)OCC)C12CC3CC(C1)CC(C3)C2 |
| InChIKey | PFWGQQSIJBNTDY-UHFFFAOYSA-N |
Product Overview
Ethyl (((1-adamantyl(ethyl)amino)carbonyl)amino)acetate (CAS 33205-91-3), with molecular formula C17H28N2O3 and molecular weight 308.21 g/mol. IUPAC: ethyl 2-[[1-adamantyl(ethyl)carbamoyl]amino]acetate.
Chemical Property Profile of Ethyl (((1-adamantyl(ethyl)amino)carbonyl)amino)acetate
Property Insights of Ethyl (((1-adamantyl(ethyl)amino)carbonyl)amino)acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (((1-adamantyl(ethyl)amino)carbonyl)amino)acetate. With a topological polar surface area (TPSA) of 58.6 Ų, Ethyl (((1-adamantyl(ethyl)amino)carbonyl)amino)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (((1-adamantyl(ethyl)amino)carbonyl)amino)acetate 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 (((1-adamantyl(ethyl)amino)carbonyl)amino)acetate?
The CAS number of Ethyl (((1-adamantyl(ethyl)amino)carbonyl)amino)acetate is 33205-91-3.
What is the molecular formula of Ethyl (((1-adamantyl(ethyl)amino)carbonyl)amino)acetate?
The molecular formula of Ethyl (((1-adamantyl(ethyl)amino)carbonyl)amino)acetate is C17H28N2O3.
What is the molecular weight of Ethyl (((1-adamantyl(ethyl)amino)carbonyl)amino)acetate?
The molecular weight of Ethyl (((1-adamantyl(ethyl)amino)carbonyl)amino)acetate is 308.21 g/mol.
Where can I buy Ethyl (((1-adamantyl(ethyl)amino)carbonyl)amino)acetate?
You can request a quote for Ethyl (((1-adamantyl(ethyl)amino)carbonyl)amino)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (((1-adamantyl(ethyl)amino)carbonyl)amino)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (((1-adamantyl(ethyl)amino)carbonyl)amino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.