Ethyl (1-adamantylamino)(oxo)acetate
TL;DR: Ethyl (1-adamantylamino)(oxo)acetate (CAS 52944-12-4) is a chemical compound with molecular formula C14H21NO3 and molecular weight 251.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1-adamantylamino)-2-oxoacetate
Also Known As: Ethyl (1-adamantylamino)(oxo)acetate, ethyl 2-(adamantan-1-ylamino)-2-oxoacetate, Acetamide,7)]decan- 1-yl)-, ethyl [(adamantan-1-yl)carbamoyl]formate, ethyl 2-(1-adamantylamino)-2-oxoacetate
| Molecular Formula | C14H21NO3 |
|---|---|
| Molecular Weight | 251.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.15215 |
| Heavy Atoms | 18 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 52944-12-4 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC12CC3CC(C1)CC(C3)C2 |
| InChIKey | HOHRNAAMSSTIJQ-UHFFFAOYSA-N |
Product Overview
Ethyl (1-adamantylamino)(oxo)acetate (CAS 52944-12-4), with molecular formula C14H21NO3 and molecular weight 251.15 g/mol. IUPAC: ethyl 2-(1-adamantylamino)-2-oxoacetate.
Chemical Property Profile of Ethyl (1-adamantylamino)(oxo)acetate
Property Insights of Ethyl (1-adamantylamino)(oxo)acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (1-adamantylamino)(oxo)acetate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl (1-adamantylamino)(oxo)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (1-adamantylamino)(oxo)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-adamantylamino)(oxo)acetate?
The CAS number of Ethyl (1-adamantylamino)(oxo)acetate is 52944-12-4.
What is the molecular formula of Ethyl (1-adamantylamino)(oxo)acetate?
The molecular formula of Ethyl (1-adamantylamino)(oxo)acetate is C14H21NO3.
What is the molecular weight of Ethyl (1-adamantylamino)(oxo)acetate?
The molecular weight of Ethyl (1-adamantylamino)(oxo)acetate is 251.15 g/mol.
Where can I buy Ethyl (1-adamantylamino)(oxo)acetate?
You can request a quote for Ethyl (1-adamantylamino)(oxo)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-adamantylamino)(oxo)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (1-adamantylamino)(oxo)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.