PEMPP
TL;DR: PEMPP (CAS 120072-08-4) is a chemical compound with molecular formula C24H28FN3OS2 and molecular weight 457.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-3-ylethyl)piperidin-4-yl]propanamide
Also Known As: PEMPP, 1-(2-(1H-Pyrazol-1-yl)ethyl)-4-(4-methylthiazol-2-yl)-4-(N-phenylpropionamide)piperidine, N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-3-ylethyl)piperidin-4-yl]propanamide, N-(2-Fluorophenyl)-N-(4-(4-methyl-2-thiazolyl)-1-(2-(3-thienyl)ethyl)-4-piperidinyl)propanamide, Propanamide,N-(2-fluorophenyl)-N-[4-(4-methyl-2-thiazolyl)-1-[2-(3-thienyl)ethyl]-4-piperidinyl]-
| Molecular Formula | C24H28FN3OS2 |
|---|---|
| Molecular Weight | 457.17 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 92.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.16577 |
| Heavy Atoms | 31 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 120072-08-4 |
|---|---|
| SMILES | CCC(=O)N(C1=CC=CC=C1F)C2(CCN(CC2)CCC3=CSC=C3)C4=NC(=CS4)C |
| InChIKey | ILNHBOIRJNOOJT-UHFFFAOYSA-N |
Product Overview
PEMPP (CAS 120072-08-4), with molecular formula C24H28FN3OS2 and molecular weight 457.17 g/mol. IUPAC: N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-3-ylethyl)piperidin-4-yl]propanamide.
Chemical Property Profile of PEMPP
Property Insights of PEMPP
The XLogP value of 4.8 indicates that PEMPP is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.9 Ų falls within the moderate polarity range, balancing permeability and solubility for PEMPP. Following Lipinski's Rule of Five, PEMPP has 0 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 PEMPP?
The CAS number of PEMPP is 120072-08-4.
What is the molecular formula of PEMPP?
The molecular formula of PEMPP is C24H28FN3OS2.
What is the molecular weight of PEMPP?
The molecular weight of PEMPP is 457.17 g/mol.
Where can I buy PEMPP?
You can request a quote for PEMPP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PEMPP?
Yes, KEHONG BIO provides custom synthesis services for PEMPP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.