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Ethyl 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]piperidine-4-carboxylate
TL;DR: Ethyl 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]piperidine-4-carboxylate (CAS 428832-33-1) is a chemical compound with molecular formula C18H24N2O5 and molecular weight 348.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]piperidine-4-carboxylate
Also Known As: BAS 03086293, AT-057/43314245, ethyl 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]piperidine-4-carboxylate, ethyl 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-4-piperidinecarboxylate, 1-[2-(Benzo[1,3]dioxol-5-ylcarbamoyl)-ethyl]-piperidine-4-carboxylic acid ethyl
| Molecular Formula | C18H24N2O5 |
|---|---|
| Molecular Weight | 348.17 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 348.16852 |
| Heavy Atoms | 25 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 428832-33-1 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)CCC(=O)NC2=CC3=C(C=C2)OCO3 |
| InChIKey | HEXXIYXNZNQKDZ-UHFFFAOYSA-N |
Product Overview
Ethyl 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]piperidine-4-carboxylate (CAS 428832-33-1), with molecular formula C18H24N2O5 and molecular weight 348.17 g/mol. IUPAC: ethyl 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]piperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]piperidine-4-carboxylate
Property Insights of Ethyl 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]piperidine-4-carboxylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]piperidine-4-carboxylate. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]piperidine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]piperidine-4-carboxylate has 1 hydrogen bond donor(s) and 6 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 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]piperidine-4-carboxylate?
The CAS number of Ethyl 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]piperidine-4-carboxylate is 428832-33-1.
What is the molecular formula of Ethyl 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]piperidine-4-carboxylate?
The molecular formula of Ethyl 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]piperidine-4-carboxylate is C18H24N2O5.
What is the molecular weight of Ethyl 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]piperidine-4-carboxylate?
The molecular weight of Ethyl 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]piperidine-4-carboxylate is 348.17 g/mol.
Where can I buy Ethyl 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]piperidine-4-carboxylate?
You can request a quote for Ethyl 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]piperidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.