AE-848/32013001
TL;DR: AE-848/32013001 (CAS 300669-74-3) is a chemical compound with molecular formula C25H24N4O2S and molecular weight 444.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(Z)-3-oxo-1-phenyl-3-piperidin-1-yl-1-pyrimidin-2-ylsulfanylprop-1-en-2-yl]benzamide
Also Known As: AE-848/32013001, N-[(Z)-3-oxo-1-phenyl-3-piperidin-1-yl-1-pyrimidin-2-ylsulfanylprop-1-en-2-yl]benzamide, N-[2-phenyl-1-(1-piperidinylcarbonyl)-2-(2-pyrimidinylsulfanyl)vinyl]benzamide, (Z)-N-(3-oxo-1-phenyl-3-(piperidin-1-yl)-1-(pyrimidin-2-ylthio)prop-1-en-2-yl)benzamide, N-[(1Z)-3-oxo-1-phenyl-3-(piperidin-1-yl)-1-(pyrimidin-2-ylsulfanyl)prop-1-en-2-yl]benzamide
| Molecular Formula | C25H24N4O2S |
|---|---|
| Molecular Weight | 444.16 g/mol |
| LogP | 4.38 |
| Topological Polar Surface Area | 75.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.162 |
| Heavy Atoms | 32 |
| Complexity | 1082.6992 |
Chemical Identifiers
| CAS Number | 300669-74-3 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)/C(=C(\C2=CC=CC=C2)/SC3=NC=CC=N3)/NC(=O)C4=CC=CC=C4 |
Product Overview
AE-848/32013001 (CAS 300669-74-3), with molecular formula C25H24N4O2S and molecular weight 444.16 g/mol. IUPAC: N-[(Z)-3-oxo-1-phenyl-3-piperidin-1-yl-1-pyrimidin-2-ylsulfanylprop-1-en-2-yl]benzamide.
Chemical Property Profile of AE-848/32013001
Property Insights of AE-848/32013001
The XLogP value of 4.38 indicates that AE-848/32013001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.19 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/32013001. Following Lipinski's Rule of Five, AE-848/32013001 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 AE-848/32013001?
The CAS number of AE-848/32013001 is 300669-74-3.
What is the molecular formula of AE-848/32013001?
The molecular formula of AE-848/32013001 is C25H24N4O2S.
What is the molecular weight of AE-848/32013001?
The molecular weight of AE-848/32013001 is 444.16 g/mol.
Where can I buy AE-848/32013001?
You can request a quote for AE-848/32013001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/32013001?
Yes, KEHONG BIO provides custom synthesis services for AE-848/32013001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.