AE-848/42799020
TL;DR: AE-848/42799020 (CAS 1164557-16-7) is a chemical compound with molecular formula C23H26N2O2S and molecular weight 394.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]-1-thiophen-2-ylprop-2-en-1-one
Also Known As: AE-848/42799020, (2E)-3-{1-[2-hydroxy-3-(piperidin-1-yl)propyl]-1H-indol-3-yl}-1-(thiophen-2-yl)prop-2-en-1-one, (E)-3-[1-(2-Hydroxy-3-piperidin-1-yl-propyl)-1H-indol-3-yl]-1-thiophen-2-yl-propenone, (E)-3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]-1-thiophen-2-ylprop-2-en-1-one, 3-{1-[2-hydroxy-3-(1-piperidinyl)propyl]-1H-indol-3-yl}-1-(2-thienyl)-2-propen-1-one
| Molecular Formula | C23H26N2O2S |
|---|---|
| Molecular Weight | 394.17 g/mol |
| LogP | 4.4457 |
| Topological Polar Surface Area | 45.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.1715 |
| Heavy Atoms | 28 |
| Complexity | 952.3112 |
Chemical Identifiers
| CAS Number | 1164557-16-7 |
|---|---|
| SMILES | C1CCN(CC1)CC(CN2C=C(C3=CC=CC=C32)/C=C/C(=O)C4=CC=CS4)O |
Product Overview
AE-848/42799020 (CAS 1164557-16-7), with molecular formula C23H26N2O2S and molecular weight 394.17 g/mol. IUPAC: (E)-3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]-1-thiophen-2-ylprop-2-en-1-one.
Chemical Property Profile of AE-848/42799020
Property Insights of AE-848/42799020
The XLogP value of 4.4457 indicates that AE-848/42799020 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.47 Ų, AE-848/42799020 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-848/42799020 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 AE-848/42799020?
The CAS number of AE-848/42799020 is 1164557-16-7.
What is the molecular formula of AE-848/42799020?
The molecular formula of AE-848/42799020 is C23H26N2O2S.
What is the molecular weight of AE-848/42799020?
The molecular weight of AE-848/42799020 is 394.17 g/mol.
Where can I buy AE-848/42799020?
You can request a quote for AE-848/42799020 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/42799020?
Yes, KEHONG BIO provides custom synthesis services for AE-848/42799020 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.