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Ethyl 3,3-diethoxy-2-[ethoxycarbonyl(methyl)amino]propanoate
TL;DR: Ethyl 3,3-diethoxy-2-[ethoxycarbonyl(methyl)amino]propanoate (CAS 6327-44-2) is a chemical compound with molecular formula C13H25NO6 and molecular weight 291.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3-diethoxy-2-[ethoxycarbonyl(methyl)amino]propanoate
Also Known As: 1-(4-fluorophenyl)-4-piperidin-1-ylpentan-1-one, ethyl 3-ethoxy-n-(ethoxycarbonyl)-o-ethyl-n-methylserinate, ethyl 3,3-diethoxy-2-[ethoxycarbonyl(methyl)amino]propanoate
| Molecular Formula | C13H25NO6 |
|---|---|
| Molecular Weight | 291.17 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 291.16818 |
| Heavy Atoms | 20 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 6327-44-2 |
|---|---|
| SMILES | CCOC(C(C(=O)OCC)N(C)C(=O)OCC)OCC |
| InChIKey | RWACMCTZIMCZQA-UHFFFAOYSA-N |
Product Overview
Ethyl 3,3-diethoxy-2-[ethoxycarbonyl(methyl)amino]propanoate (CAS 6327-44-2), with molecular formula C13H25NO6 and molecular weight 291.17 g/mol. IUPAC: ethyl 3,3-diethoxy-2-[ethoxycarbonyl(methyl)amino]propanoate.
Chemical Property Profile of Ethyl 3,3-diethoxy-2-[ethoxycarbonyl(methyl)amino]propanoate
Property Insights of Ethyl 3,3-diethoxy-2-[ethoxycarbonyl(methyl)amino]propanoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,3-diethoxy-2-[ethoxycarbonyl(methyl)amino]propanoate. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3,3-diethoxy-2-[ethoxycarbonyl(methyl)amino]propanoate. Following Lipinski's Rule of Five, Ethyl 3,3-diethoxy-2-[ethoxycarbonyl(methyl)amino]propanoate has 0 hydrogen bond donor(s) and 6 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 3,3-diethoxy-2-[ethoxycarbonyl(methyl)amino]propanoate?
The CAS number of Ethyl 3,3-diethoxy-2-[ethoxycarbonyl(methyl)amino]propanoate is 6327-44-2.
What is the molecular formula of Ethyl 3,3-diethoxy-2-[ethoxycarbonyl(methyl)amino]propanoate?
The molecular formula of Ethyl 3,3-diethoxy-2-[ethoxycarbonyl(methyl)amino]propanoate is C13H25NO6.
What is the molecular weight of Ethyl 3,3-diethoxy-2-[ethoxycarbonyl(methyl)amino]propanoate?
The molecular weight of Ethyl 3,3-diethoxy-2-[ethoxycarbonyl(methyl)amino]propanoate is 291.17 g/mol.
Where can I buy Ethyl 3,3-diethoxy-2-[ethoxycarbonyl(methyl)amino]propanoate?
You can request a quote for Ethyl 3,3-diethoxy-2-[ethoxycarbonyl(methyl)amino]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,3-diethoxy-2-[ethoxycarbonyl(methyl)amino]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,3-diethoxy-2-[ethoxycarbonyl(methyl)amino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.