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Ethyl 4-{3-[4-(ethoxycarbonyl)piperidyl]-2,5-dioxoazolidinyl}benzoate
TL;DR: Ethyl 4-{3-[4-(ethoxycarbonyl)piperidyl]-2,5-dioxoazolidinyl}benzoate (CAS 330865-09-3) is a chemical compound with molecular formula C21H26N2O6 and molecular weight 402.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[1-(4-ethoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
Also Known As: BAS 01269161, AB00101368-01, AB00101368-10, A2078/0087357, ethyl 4-{3-[4-(ethoxycarbonyl)piperidyl]-2,5-dioxoazolidinyl}benzoate
| Molecular Formula | C21H26N2O6 |
|---|---|
| Molecular Weight | 402.18 g/mol |
| LogP | 1.7703 |
| Topological Polar Surface Area | 93.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.17908 |
| Heavy Atoms | 29 |
| Complexity | 782.86597 |
Chemical Identifiers
| CAS Number | 330865-09-3 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC |
Product Overview
Ethyl 4-{3-[4-(ethoxycarbonyl)piperidyl]-2,5-dioxoazolidinyl}benzoate (CAS 330865-09-3), with molecular formula C21H26N2O6 and molecular weight 402.18 g/mol. IUPAC: ethyl 1-[1-(4-ethoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate.
Chemical Property Profile of Ethyl 4-{3-[4-(ethoxycarbonyl)piperidyl]-2,5-dioxoazolidinyl}benzoate
Property Insights of Ethyl 4-{3-[4-(ethoxycarbonyl)piperidyl]-2,5-dioxoazolidinyl}benzoate
The XLogP value of 1.7703 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{3-[4-(ethoxycarbonyl)piperidyl]-2,5-dioxoazolidinyl}benzoate. The TPSA of 93.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{3-[4-(ethoxycarbonyl)piperidyl]-2,5-dioxoazolidinyl}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{3-[4-(ethoxycarbonyl)piperidyl]-2,5-dioxoazolidinyl}benzoate has 0 hydrogen bond donor(s) and 7 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-{3-[4-(ethoxycarbonyl)piperidyl]-2,5-dioxoazolidinyl}benzoate?
The CAS number of Ethyl 4-{3-[4-(ethoxycarbonyl)piperidyl]-2,5-dioxoazolidinyl}benzoate is 330865-09-3.
What is the molecular formula of Ethyl 4-{3-[4-(ethoxycarbonyl)piperidyl]-2,5-dioxoazolidinyl}benzoate?
The molecular formula of Ethyl 4-{3-[4-(ethoxycarbonyl)piperidyl]-2,5-dioxoazolidinyl}benzoate is C21H26N2O6.
What is the molecular weight of Ethyl 4-{3-[4-(ethoxycarbonyl)piperidyl]-2,5-dioxoazolidinyl}benzoate?
The molecular weight of Ethyl 4-{3-[4-(ethoxycarbonyl)piperidyl]-2,5-dioxoazolidinyl}benzoate is 402.18 g/mol.
Where can I buy Ethyl 4-{3-[4-(ethoxycarbonyl)piperidyl]-2,5-dioxoazolidinyl}benzoate?
You can request a quote for Ethyl 4-{3-[4-(ethoxycarbonyl)piperidyl]-2,5-dioxoazolidinyl}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{3-[4-(ethoxycarbonyl)piperidyl]-2,5-dioxoazolidinyl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{3-[4-(ethoxycarbonyl)piperidyl]-2,5-dioxoazolidinyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.