Malonamic acid, 2-ethyl-2-phenyl-N-(3-piperidinopropyl)-, ethyl ester
TL;DR: Malonamic acid, 2-ethyl-2-phenyl-N-(3-piperidinopropyl)-, ethyl ester (CAS 96064-47-0) is a chemical compound with molecular formula C21H32N2O3 and molecular weight 360.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-phenyl-2-(3-piperidin-1-ylpropylcarbamoyl)butanoate
Also Known As: BR 90, 5-20-03-00175 (Beilstein Handbook Reference), 2-Ethyl-2-phenyl-N-(3-piperidinopropyl)malonamic acid ethyl ester, MALONAMIC ACID, 2-ETHYL-2-PHENYL-N-(3-PIPERIDINOPROPYL)-, ETHYL ESTER, ethyl 2-phenyl-2-(3-piperidin-1-ylpropylcarbamoyl)butanoate
| Molecular Formula | C21H32N2O3 |
|---|---|
| Molecular Weight | 360.24 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 360.2413 |
| Heavy Atoms | 26 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 96064-47-0 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)(C(=O)NCCCN2CCCCC2)C(=O)OCC |
| InChIKey | MIDYJGWCFUCIHA-UHFFFAOYSA-N |
Product Overview
Malonamic acid, 2-ethyl-2-phenyl-N-(3-piperidinopropyl)-, ethyl ester (CAS 96064-47-0), with molecular formula C21H32N2O3 and molecular weight 360.24 g/mol. IUPAC: ethyl 2-phenyl-2-(3-piperidin-1-ylpropylcarbamoyl)butanoate.
Chemical Property Profile of Malonamic acid, 2-ethyl-2-phenyl-N-(3-piperidinopropyl)-, ethyl ester
Property Insights of Malonamic acid, 2-ethyl-2-phenyl-N-(3-piperidinopropyl)-, ethyl ester
The XLogP value of 3.6 indicates that Malonamic acid, 2-ethyl-2-phenyl-N-(3-piperidinopropyl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, Malonamic acid, 2-ethyl-2-phenyl-N-(3-piperidinopropyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Malonamic acid, 2-ethyl-2-phenyl-N-(3-piperidinopropyl)-, ethyl ester has 1 hydrogen bond donor(s) and 4 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, 2-ethyl-2-phenyl-N-(3-piperidinopropyl)-, ethyl ester?
The CAS number of Malonamic acid, 2-ethyl-2-phenyl-N-(3-piperidinopropyl)-, ethyl ester is 96064-47-0.
What is the molecular formula of Malonamic acid, 2-ethyl-2-phenyl-N-(3-piperidinopropyl)-, ethyl ester?
The molecular formula of Malonamic acid, 2-ethyl-2-phenyl-N-(3-piperidinopropyl)-, ethyl ester is C21H32N2O3.
What is the molecular weight of Malonamic acid, 2-ethyl-2-phenyl-N-(3-piperidinopropyl)-, ethyl ester?
The molecular weight of Malonamic acid, 2-ethyl-2-phenyl-N-(3-piperidinopropyl)-, ethyl ester is 360.24 g/mol.
Where can I buy Malonamic acid, 2-ethyl-2-phenyl-N-(3-piperidinopropyl)-, ethyl ester?
You can request a quote for Malonamic acid, 2-ethyl-2-phenyl-N-(3-piperidinopropyl)-, 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, 2-ethyl-2-phenyl-N-(3-piperidinopropyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Malonamic acid, 2-ethyl-2-phenyl-N-(3-piperidinopropyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.