Malonamic acid, N,2-bis(piperidinomethyl)-2-ethyl-, ethyl ester
TL;DR: Malonamic acid, N,2-bis(piperidinomethyl)-2-ethyl-, ethyl ester (CAS 94380-74-2) is a chemical compound with molecular formula C19H35N3O3 and molecular weight 353.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(piperidin-1-ylmethyl)-2-(piperidin-1-ylmethylcarbamoyl)butanoate
Also Known As: Sch 3791, N,2-Bis(piperidinomethyl)-2-ethyl-malonamic acid ethyl ester, MALONAMIC ACID, N,2-BIS(PIPERIDINOMETHYL)-2-ETHYL-, ETHYL ESTER, Piperidinometilamide dell'etil-piperidinometil-malonato monoetilico, Piperidinometilamide dell'etil-piperidinometil-malonato monoetilico [Italian]
| Molecular Formula | C19H35N3O3 |
|---|---|
| Molecular Weight | 353.27 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 353.26785 |
| Heavy Atoms | 25 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 94380-74-2 |
|---|---|
| SMILES | CCC(CN1CCCCC1)(C(=O)NCN2CCCCC2)C(=O)OCC |
| InChIKey | IHFKPQPFEYVEIQ-UHFFFAOYSA-N |
Product Overview
Malonamic acid, N,2-bis(piperidinomethyl)-2-ethyl-, ethyl ester (CAS 94380-74-2), with molecular formula C19H35N3O3 and molecular weight 353.27 g/mol. IUPAC: ethyl 2-(piperidin-1-ylmethyl)-2-(piperidin-1-ylmethylcarbamoyl)butanoate.
Chemical Property Profile of Malonamic acid, N,2-bis(piperidinomethyl)-2-ethyl-, ethyl ester
Property Insights of Malonamic acid, N,2-bis(piperidinomethyl)-2-ethyl-, ethyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malonamic acid, N,2-bis(piperidinomethyl)-2-ethyl-, ethyl ester. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Malonamic acid, N,2-bis(piperidinomethyl)-2-ethyl-, ethyl ester. Following Lipinski's Rule of Five, Malonamic acid, N,2-bis(piperidinomethyl)-2-ethyl-, ethyl ester has 1 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 Malonamic acid, N,2-bis(piperidinomethyl)-2-ethyl-, ethyl ester?
The CAS number of Malonamic acid, N,2-bis(piperidinomethyl)-2-ethyl-, ethyl ester is 94380-74-2.
What is the molecular formula of Malonamic acid, N,2-bis(piperidinomethyl)-2-ethyl-, ethyl ester?
The molecular formula of Malonamic acid, N,2-bis(piperidinomethyl)-2-ethyl-, ethyl ester is C19H35N3O3.
What is the molecular weight of Malonamic acid, N,2-bis(piperidinomethyl)-2-ethyl-, ethyl ester?
The molecular weight of Malonamic acid, N,2-bis(piperidinomethyl)-2-ethyl-, ethyl ester is 353.27 g/mol.
Where can I buy Malonamic acid, N,2-bis(piperidinomethyl)-2-ethyl-, ethyl ester?
You can request a quote for Malonamic acid, N,2-bis(piperidinomethyl)-2-ethyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malonamic acid, N,2-bis(piperidinomethyl)-2-ethyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Malonamic acid, N,2-bis(piperidinomethyl)-2-ethyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.