Ethyl 4-oxo-3-(phenylcarbamoyl)pentanoate
TL;DR: Ethyl 4-oxo-3-(phenylcarbamoyl)pentanoate (CAS 71474-64-1) is a chemical compound with molecular formula C14H17NO4 and molecular weight 263.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxo-3-(phenylcarbamoyl)pentanoate
Also Known As: ethyl 4-oxo-3-(phenylcarbamoyl)pentanoate, diethyl m-nitrobenzylidenemalonate
| Molecular Formula | C14H17NO4 |
|---|---|
| Molecular Weight | 263.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 263.11575 |
| Heavy Atoms | 19 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 71474-64-1 |
|---|---|
| SMILES | CCOC(=O)CC(C(=O)C)C(=O)NC1=CC=CC=C1 |
| InChIKey | KGNQMIZUQUDUSL-UHFFFAOYSA-N |
Product Overview
Ethyl 4-oxo-3-(phenylcarbamoyl)pentanoate (CAS 71474-64-1), with molecular formula C14H17NO4 and molecular weight 263.12 g/mol. IUPAC: ethyl 4-oxo-3-(phenylcarbamoyl)pentanoate.
Chemical Property Profile of Ethyl 4-oxo-3-(phenylcarbamoyl)pentanoate
Property Insights of Ethyl 4-oxo-3-(phenylcarbamoyl)pentanoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-oxo-3-(phenylcarbamoyl)pentanoate. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-oxo-3-(phenylcarbamoyl)pentanoate. Following Lipinski's Rule of Five, Ethyl 4-oxo-3-(phenylcarbamoyl)pentanoate has 1 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 4-oxo-3-(phenylcarbamoyl)pentanoate?
The CAS number of Ethyl 4-oxo-3-(phenylcarbamoyl)pentanoate is 71474-64-1.
What is the molecular formula of Ethyl 4-oxo-3-(phenylcarbamoyl)pentanoate?
The molecular formula of Ethyl 4-oxo-3-(phenylcarbamoyl)pentanoate is C14H17NO4.
What is the molecular weight of Ethyl 4-oxo-3-(phenylcarbamoyl)pentanoate?
The molecular weight of Ethyl 4-oxo-3-(phenylcarbamoyl)pentanoate is 263.12 g/mol.
Where can I buy Ethyl 4-oxo-3-(phenylcarbamoyl)pentanoate?
You can request a quote for Ethyl 4-oxo-3-(phenylcarbamoyl)pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-oxo-3-(phenylcarbamoyl)pentanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-oxo-3-(phenylcarbamoyl)pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.