AE-848/42799011
TL;DR: AE-848/42799011 (CAS 825601-92-1) is a chemical compound with molecular formula C27H32N2O4 and molecular weight 448.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(3,4-dimethoxyphenyl)-3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]prop-2-en-1-one
Also Known As: AE-848/42799011, (2E)-1-(3,4-dimethoxyphenyl)-3-{1-[2-hydroxy-3-(piperidin-1-yl)propyl]-1H-indol-3-yl}prop-2-en-1-one, 1-(3,4-dimethoxyphenyl)-3-{1-[2-hydroxy-3-(1-piperidinyl)propyl]-1H-indol-3-yl}-2-propen-1-one, (E)-1-(3,4-dimethoxyphenyl)-3-(1-(2-hydroxy-3-(piperidin-1-yl)propyl)-1H-indol-3-yl)prop-2-en-1-one, (E)-1-(3,4-dimethoxyphenyl)-3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]prop-2-en-1-one
| Molecular Formula | C27H32N2O4 |
|---|---|
| Molecular Weight | 448.24 g/mol |
| LogP | 4.4014 |
| Topological Polar Surface Area | 63.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 448.2362 |
| Heavy Atoms | 33 |
| Complexity | 1128.3518 |
Chemical Identifiers
| CAS Number | 825601-92-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)/C=C/C2=CN(C3=CC=CC=C32)CC(CN4CCCCC4)O)OC |
Product Overview
AE-848/42799011 (CAS 825601-92-1), with molecular formula C27H32N2O4 and molecular weight 448.24 g/mol. IUPAC: (E)-1-(3,4-dimethoxyphenyl)-3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]prop-2-en-1-one.
Chemical Property Profile of AE-848/42799011
Property Insights of AE-848/42799011
The XLogP value of 4.4014 indicates that AE-848/42799011 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.93 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/42799011. Following Lipinski's Rule of Five, AE-848/42799011 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-848/42799011?
The CAS number of AE-848/42799011 is 825601-92-1.
What is the molecular formula of AE-848/42799011?
The molecular formula of AE-848/42799011 is C27H32N2O4.
What is the molecular weight of AE-848/42799011?
The molecular weight of AE-848/42799011 is 448.24 g/mol.
Where can I buy AE-848/42799011?
You can request a quote for AE-848/42799011 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/42799011?
Yes, KEHONG BIO provides custom synthesis services for AE-848/42799011 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.