![Ethyl 2-[(3-chloro-2,2-dimethylpropanoyl)amino]-3-phenylpropanoate structure](/static/products/1396/1396999-17-9.webp)
Ethyl 2-[(3-chloro-2,2-dimethylpropanoyl)amino]-3-phenylpropanoate
TL;DR: Ethyl 2-[(3-chloro-2,2-dimethylpropanoyl)amino]-3-phenylpropanoate (CAS 1396999-17-9) is a chemical compound with molecular formula C16H22ClNO3 and molecular weight 311.1288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(3-chloro-2,2-dimethylpropanoyl)amino]-3-phenylpropanoate
Also Known As: ethyl 2-[(3-chloro-2,2-dimethylpropanoyl)amino]-3-phenylpropanoate, ethyl 2-(3-chloro-2,2-dimethylpropanamido)-3-phenylpropanoate, 1M-706, Ethyl 2-((3-chloro-2,2-dimethylpropanoyl)amino)-3-phenylpropanoate, ethyl2-(3-chloro-2,2-dimethylpropanamido)-3-phenylpropanoate
Technical Specifications
| Molecular Formula | C16H22ClNO3 |
| Molecular Weight | 311.1288 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 311.1288 Da |
| Heavy Atoms | 21 |
| Complexity | 351.0 |
| SMILES | CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)(C)CCl |
| InChIKey | ZWFKVESIJKSTFO-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-[(3-chloro-2,2-dimethylpropanoyl)amino]-3-phenylpropanoate
Property Insights of Ethyl 2-[(3-chloro-2,2-dimethylpropanoyl)amino]-3-phenylpropanoate
The XLogP value of 3.3 indicates that Ethyl 2-[(3-chloro-2,2-dimethylpropanoyl)amino]-3-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 2-[(3-chloro-2,2-dimethylpropanoyl)amino]-3-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-[(3-chloro-2,2-dimethylpropanoyl)amino]-3-phenylpropanoate 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-[(3-chloro-2,2-dimethylpropanoyl)amino]-3-phenylpropanoate?
The CAS number of Ethyl 2-[(3-chloro-2,2-dimethylpropanoyl)amino]-3-phenylpropanoate is 1396999-17-9.
What is the molecular formula of Ethyl 2-[(3-chloro-2,2-dimethylpropanoyl)amino]-3-phenylpropanoate?
The molecular formula of Ethyl 2-[(3-chloro-2,2-dimethylpropanoyl)amino]-3-phenylpropanoate is C16H22ClNO3.
What is the molecular weight of Ethyl 2-[(3-chloro-2,2-dimethylpropanoyl)amino]-3-phenylpropanoate?
The molecular weight of Ethyl 2-[(3-chloro-2,2-dimethylpropanoyl)amino]-3-phenylpropanoate is 311.1288 g/mol.
Where can I buy Ethyl 2-[(3-chloro-2,2-dimethylpropanoyl)amino]-3-phenylpropanoate?
You can request a quote for Ethyl 2-[(3-chloro-2,2-dimethylpropanoyl)amino]-3-phenylpropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-[(3-chloro-2,2-dimethylpropanoyl)amino]-3-phenylpropanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-[(3-chloro-2,2-dimethylpropanoyl)amino]-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.