Ethyl 2-(octanoylamino)acetate
TL;DR: Ethyl 2-(octanoylamino)acetate (CAS 100247-76-5) is a chemical compound with molecular formula C12H23NO3 and molecular weight 229.1678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(octanoylamino)acetate
Also Known As: N-Octanoylglycine ethyl ester, Ethyl 2-(octanoylamino)acetate, ETHYL 2-OCTANAMIDOACETATE, J2.665.638I
Technical Specifications
| Molecular Formula | C12H23NO3 |
| Molecular Weight | 229.1678 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 229.1678 Da |
| Heavy Atoms | 16 |
| Complexity | 204.0 |
| SMILES | CCCCCCCC(=O)NCC(=O)OCC |
| InChIKey | MVTLBFPVMGMJPZ-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-(octanoylamino)acetate
Property Insights of Ethyl 2-(octanoylamino)acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(octanoylamino)acetate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 2-(octanoylamino)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(octanoylamino)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
What is the CAS number of Ethyl 2-(octanoylamino)acetate?
The CAS number of Ethyl 2-(octanoylamino)acetate is 100247-76-5.
What is the molecular formula of Ethyl 2-(octanoylamino)acetate?
The molecular formula of Ethyl 2-(octanoylamino)acetate is C12H23NO3.
What is the molecular weight of Ethyl 2-(octanoylamino)acetate?
The molecular weight of Ethyl 2-(octanoylamino)acetate is 229.1678 g/mol.
Where can I buy Ethyl 2-(octanoylamino)acetate?
You can request a quote for Ethyl 2-(octanoylamino)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-(octanoylamino)acetate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-(octanoylamino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.