Malonic acid, phenyl(piperidinomethyl)-, diethyl ester
TL;DR: Malonic acid, phenyl(piperidinomethyl)-, diethyl ester (CAS 53361-58-3) is a chemical compound with molecular formula C19H27NO4 and molecular weight 333.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-phenyl-2-(piperidin-1-ylmethyl)propanedioate
Also Known As: Sch 3801, Fenil piperidinometil malonato dietilico, Phenyl(piperidinomethyl)malonic acid diethyl ester, Fenil piperidinometil malonato dietilico [Italian], MALONIC ACID, PHENYL(PIPERIDINOMETHYL)-, DIETHYL ESTER
| Molecular Formula | C19H27NO4 |
|---|---|
| Molecular Weight | 333.19 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 333.194 |
| Heavy Atoms | 24 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 53361-58-3 |
|---|---|
| SMILES | CCOC(=O)C(CN1CCCCC1)(C2=CC=CC=C2)C(=O)OCC |
| InChIKey | LNPAHLGTMZENQF-UHFFFAOYSA-N |
Product Overview
Malonic acid, phenyl(piperidinomethyl)-, diethyl ester (CAS 53361-58-3), with molecular formula C19H27NO4 and molecular weight 333.19 g/mol. IUPAC: diethyl 2-phenyl-2-(piperidin-1-ylmethyl)propanedioate.
Chemical Property Profile of Malonic acid, phenyl(piperidinomethyl)-, diethyl ester
Property Insights of Malonic acid, phenyl(piperidinomethyl)-, diethyl ester
The XLogP value of 3.3 indicates that Malonic acid, phenyl(piperidinomethyl)-, diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Malonic acid, phenyl(piperidinomethyl)-, diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Malonic acid, phenyl(piperidinomethyl)-, diethyl ester 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 Malonic acid, phenyl(piperidinomethyl)-, diethyl ester?
The CAS number of Malonic acid, phenyl(piperidinomethyl)-, diethyl ester is 53361-58-3.
What is the molecular formula of Malonic acid, phenyl(piperidinomethyl)-, diethyl ester?
The molecular formula of Malonic acid, phenyl(piperidinomethyl)-, diethyl ester is C19H27NO4.
What is the molecular weight of Malonic acid, phenyl(piperidinomethyl)-, diethyl ester?
The molecular weight of Malonic acid, phenyl(piperidinomethyl)-, diethyl ester is 333.19 g/mol.
Where can I buy Malonic acid, phenyl(piperidinomethyl)-, diethyl ester?
You can request a quote for Malonic acid, phenyl(piperidinomethyl)-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malonic acid, phenyl(piperidinomethyl)-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Malonic acid, phenyl(piperidinomethyl)-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.