Ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)acetyl)piperazine-1-carboxylate
TL;DR: Ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)acetyl)piperazine-1-carboxylate (CAS 313702-45-3) is a chemical compound with molecular formula C17H19N3O5 and molecular weight 345.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperazine-1-carboxylate
Also Known As: BIM-0038406.P001, ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)acetyl)piperazine-1-carboxylate, ethyl 4-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperazine-1-carboxylate, ethyl 4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]piperazine-1-carboxylate, ETHYL 4-[2-(1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)ACETYL]PIPERAZINE-1-CARBOXYLATE
| Molecular Formula | C17H19N3O5 |
|---|---|
| Molecular Weight | 345.13 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 87.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.13248 |
| Heavy Atoms | 25 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 313702-45-3 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | OFYVDGBQHNODJV-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)acetyl)piperazine-1-carboxylate (CAS 313702-45-3), with molecular formula C17H19N3O5 and molecular weight 345.13 g/mol. IUPAC: ethyl 4-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)acetyl)piperazine-1-carboxylate
Property Insights of Ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)acetyl)piperazine-1-carboxylate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)acetyl)piperazine-1-carboxylate. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)acetyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)acetyl)piperazine-1-carboxylate 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 4-(2-(1,3-dioxoisoindolin-2-yl)acetyl)piperazine-1-carboxylate?
The CAS number of Ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)acetyl)piperazine-1-carboxylate is 313702-45-3.
What is the molecular formula of Ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)acetyl)piperazine-1-carboxylate?
The molecular formula of Ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)acetyl)piperazine-1-carboxylate is C17H19N3O5.
What is the molecular weight of Ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)acetyl)piperazine-1-carboxylate?
The molecular weight of Ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)acetyl)piperazine-1-carboxylate is 345.13 g/mol.
Where can I buy Ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)acetyl)piperazine-1-carboxylate?
You can request a quote for Ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)acetyl)piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)acetyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)acetyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.