![Diethyl ethyl[3-oxo-3-(phenylamino)propyl]propanedioate structure](/static/products/110/110421-57-3.png)
Diethyl ethyl[3-oxo-3-(phenylamino)propyl]propanedioate
TL;DR: Diethyl ethyl[3-oxo-3-(phenylamino)propyl]propanedioate (CAS 110421-57-3) is a chemical compound with molecular formula C18H25NO5 and molecular weight 335.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(3-anilino-3-oxopropyl)-2-ethylpropanedioate
Also Known As: diethyl 2-(3-anilino-3-oxopropyl)-2-ethylpropanedioate, diethyl ethyl[3-oxo-3-(phenylamino)propyl]propanedioate, diethyl 2-ethyl-2-(3-oxo-3-(phenylamino)propyl)malonate
| Molecular Formula | C18H25NO5 |
|---|---|
| Molecular Weight | 335.17 g/mol |
| LogP | 2.9279 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 335.17328 |
| Heavy Atoms | 24 |
| Complexity | 537.78735 |
Chemical Identifiers
| CAS Number | 110421-57-3 |
|---|---|
| SMILES | CCC(CCC(=O)NC1=CC=CC=C1)(C(=O)OCC)C(=O)OCC |
Product Overview
Diethyl ethyl[3-oxo-3-(phenylamino)propyl]propanedioate (CAS 110421-57-3), with molecular formula C18H25NO5 and molecular weight 335.17 g/mol. IUPAC: diethyl 2-(3-anilino-3-oxopropyl)-2-ethylpropanedioate.
Chemical Property Profile of Diethyl ethyl[3-oxo-3-(phenylamino)propyl]propanedioate
Property Insights of Diethyl ethyl[3-oxo-3-(phenylamino)propyl]propanedioate
The XLogP value of 2.9279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl ethyl[3-oxo-3-(phenylamino)propyl]propanedioate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl ethyl[3-oxo-3-(phenylamino)propyl]propanedioate. Following Lipinski's Rule of Five, Diethyl ethyl[3-oxo-3-(phenylamino)propyl]propanedioate has 1 hydrogen bond donor(s) and 5 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 Diethyl ethyl[3-oxo-3-(phenylamino)propyl]propanedioate?
The CAS number of Diethyl ethyl[3-oxo-3-(phenylamino)propyl]propanedioate is 110421-57-3.
What is the molecular formula of Diethyl ethyl[3-oxo-3-(phenylamino)propyl]propanedioate?
The molecular formula of Diethyl ethyl[3-oxo-3-(phenylamino)propyl]propanedioate is C18H25NO5.
What is the molecular weight of Diethyl ethyl[3-oxo-3-(phenylamino)propyl]propanedioate?
The molecular weight of Diethyl ethyl[3-oxo-3-(phenylamino)propyl]propanedioate is 335.17 g/mol.
Where can I buy Diethyl ethyl[3-oxo-3-(phenylamino)propyl]propanedioate?
You can request a quote for Diethyl ethyl[3-oxo-3-(phenylamino)propyl]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl ethyl[3-oxo-3-(phenylamino)propyl]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl ethyl[3-oxo-3-(phenylamino)propyl]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.