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Ethyl alpha-[isopropylideneaminooxy]propionate
TL;DR: Ethyl alpha-[isopropylideneaminooxy]propionate (CAS 54716-29-9) is a chemical compound with molecular formula C8H15NO3 and molecular weight 173.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(propan-2-ylideneamino)oxypropanoate
Also Known As: Ethyl 2-(isopropylideneaminooxy)propionate, ethyl 2-(propan-2-ylideneamino)oxypropanoate, Ethyl alpha-[isopropylideneaminooxy]propionate, Ethyl .alpha.-[isopropylideneaminooxy]propionate, ethyl alpha-(isopropylideneaminooxy)propionate
| Molecular Formula | C8H15NO3 |
|---|---|
| Molecular Weight | 173.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 173.1052 |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 54716-29-9 |
|---|---|
| SMILES | CCOC(=O)C(C)ON=C(C)C |
| InChIKey | YXSVQLSROJMFIP-UHFFFAOYSA-N |
Product Overview
Ethyl alpha-[isopropylideneaminooxy]propionate (CAS 54716-29-9), with molecular formula C8H15NO3 and molecular weight 173.11 g/mol. IUPAC: ethyl 2-(propan-2-ylideneamino)oxypropanoate.
Chemical Property Profile of Ethyl alpha-[isopropylideneaminooxy]propionate
Property Insights of Ethyl alpha-[isopropylideneaminooxy]propionate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl alpha-[isopropylideneaminooxy]propionate. With a topological polar surface area (TPSA) of 47.9 Ų, Ethyl alpha-[isopropylideneaminooxy]propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl alpha-[isopropylideneaminooxy]propionate has 0 hydrogen bond donor(s) and 4 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 alpha-[isopropylideneaminooxy]propionate?
The CAS number of Ethyl alpha-[isopropylideneaminooxy]propionate is 54716-29-9.
What is the molecular formula of Ethyl alpha-[isopropylideneaminooxy]propionate?
The molecular formula of Ethyl alpha-[isopropylideneaminooxy]propionate is C8H15NO3.
What is the molecular weight of Ethyl alpha-[isopropylideneaminooxy]propionate?
The molecular weight of Ethyl alpha-[isopropylideneaminooxy]propionate is 173.11 g/mol.
Where can I buy Ethyl alpha-[isopropylideneaminooxy]propionate?
You can request a quote for Ethyl alpha-[isopropylideneaminooxy]propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl alpha-[isopropylideneaminooxy]propionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl alpha-[isopropylideneaminooxy]propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.