Ethyl 2-(3-N-phthalimidopropyl)acetoacetate
TL;DR: Ethyl 2-(3-N-phthalimidopropyl)acetoacetate (CAS 55747-45-0) is a chemical compound with molecular formula C17H19NO5 and molecular weight 317.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetyl-5-(1,3-dioxoisoindol-2-yl)pentanoate
Also Known As: Ethyl 2-acetyl-5-(1,3-dioxoisoindolin-2-yl)pentanoate, Ethyl 2-(3-N-phthalimidopropyl)acetoacetate, Ethyl acetopropylphthalimide, ethyl 2-acetyl-5-phthalimidopentanoate, ethyl 2-(3-phthalimidopropyl)acetoacetate
| Molecular Formula | C17H19NO5 |
|---|---|
| Molecular Weight | 317.13 g/mol |
| LogP | 1.8311 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.1263 |
| Heavy Atoms | 23 |
| Complexity | 617.13873 |
Chemical Identifiers
| CAS Number | 55747-45-0 |
|---|---|
| SMILES | CCOC(=O)C(CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)C |
Product Overview
Ethyl 2-(3-N-phthalimidopropyl)acetoacetate (CAS 55747-45-0), with molecular formula C17H19NO5 and molecular weight 317.13 g/mol. IUPAC: ethyl 2-acetyl-5-(1,3-dioxoisoindol-2-yl)pentanoate.
Chemical Property Profile of Ethyl 2-(3-N-phthalimidopropyl)acetoacetate
Property Insights of Ethyl 2-(3-N-phthalimidopropyl)acetoacetate
The XLogP value of 1.8311 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(3-N-phthalimidopropyl)acetoacetate. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(3-N-phthalimidopropyl)acetoacetate. Following Lipinski's Rule of Five, Ethyl 2-(3-N-phthalimidopropyl)acetoacetate has 0 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 Ethyl 2-(3-N-phthalimidopropyl)acetoacetate?
The CAS number of Ethyl 2-(3-N-phthalimidopropyl)acetoacetate is 55747-45-0.
What is the molecular formula of Ethyl 2-(3-N-phthalimidopropyl)acetoacetate?
The molecular formula of Ethyl 2-(3-N-phthalimidopropyl)acetoacetate is C17H19NO5.
What is the molecular weight of Ethyl 2-(3-N-phthalimidopropyl)acetoacetate?
The molecular weight of Ethyl 2-(3-N-phthalimidopropyl)acetoacetate is 317.13 g/mol.
Where can I buy Ethyl 2-(3-N-phthalimidopropyl)acetoacetate?
You can request a quote for Ethyl 2-(3-N-phthalimidopropyl)acetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3-N-phthalimidopropyl)acetoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-N-phthalimidopropyl)acetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.