AE-848/42799021
TL;DR: AE-848/42799021 (CAS 825601-99-8) is a chemical compound with molecular formula C22H24N2O3S and molecular weight 396.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-1-thiophen-2-ylprop-2-en-1-one
Also Known As: AE-848/42799021, 3-{1-[2-hydroxy-3-(4-morpholinyl)propyl]-1H-indol-3-yl}-1-(2-thienyl)-2-propen-1-one, (E)-3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-1-thiophen-2-ylprop-2-en-1-one, (2E)-3-{1-[2-hydroxy-3-(morpholin-4-yl)propyl]-1H-indol-3-yl}-1-(thiophen-2-yl)prop-2-en-1-one, (E)-3-(1-(2-hydroxy-3-morpholinopropyl)-1H-indol-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one
| Molecular Formula | C22H24N2O3S |
|---|---|
| Molecular Weight | 396.15 g/mol |
| LogP | 3.292 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.15076 |
| Heavy Atoms | 28 |
| Complexity | 955.4908 |
Chemical Identifiers
| CAS Number | 825601-99-8 |
|---|---|
| SMILES | C1COCCN1CC(CN2C=C(C3=CC=CC=C32)/C=C/C(=O)C4=CC=CS4)O |
Product Overview
AE-848/42799021 (CAS 825601-99-8), with molecular formula C22H24N2O3S and molecular weight 396.15 g/mol. IUPAC: (E)-3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-1-thiophen-2-ylprop-2-en-1-one.
Chemical Property Profile of AE-848/42799021
Property Insights of AE-848/42799021
The XLogP value of 3.292 indicates that AE-848/42799021 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.7 Ų, AE-848/42799021 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-848/42799021 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-848/42799021?
The CAS number of AE-848/42799021 is 825601-99-8.
What is the molecular formula of AE-848/42799021?
The molecular formula of AE-848/42799021 is C22H24N2O3S.
What is the molecular weight of AE-848/42799021?
The molecular weight of AE-848/42799021 is 396.15 g/mol.
Where can I buy AE-848/42799021?
You can request a quote for AE-848/42799021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/42799021?
Yes, KEHONG BIO provides custom synthesis services for AE-848/42799021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.