3-(1-acetyl-1H-indol-3-yl)acrylaldehyde
TL;DR: 3-(1-acetyl-1H-indol-3-yl)acrylaldehyde (CAS 290365-72-9) is a chemical compound with molecular formula C13H11NO2 and molecular weight 213.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1-acetylindol-3-yl)prop-2-enal
Also Known As: 3-(1-acetyl-1H-indol-3-yl)acrylaldehyde, (E)-3-(1-acetylindol-3-yl)prop-2-enal, 3-(1-acetyl-1H-indol-3-yl)prop-2-enal, 3-((1E)-3-oxoprop-1-enyl)-1-acetylindole, (E)-3-(1-Acetyl-1H-indol-3-yl)acrylaldehyde
| Molecular Formula | C13H11NO2 |
|---|---|
| Molecular Weight | 213.08 g/mol |
| LogP | 2.5135 |
| Topological Polar Surface Area | 39.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.07898 |
| Heavy Atoms | 16 |
| Complexity | 578.6302 |
Chemical Identifiers
| CAS Number | 290365-72-9 |
|---|---|
| SMILES | CC(=O)N1C=C(C2=CC=CC=C21)/C=C/C=O |
Product Overview
3-(1-acetyl-1H-indol-3-yl)acrylaldehyde (CAS 290365-72-9), with molecular formula C13H11NO2 and molecular weight 213.08 g/mol. IUPAC: (E)-3-(1-acetylindol-3-yl)prop-2-enal.
Chemical Property Profile of 3-(1-acetyl-1H-indol-3-yl)acrylaldehyde
Property Insights of 3-(1-acetyl-1H-indol-3-yl)acrylaldehyde
The XLogP value of 2.5135 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-acetyl-1H-indol-3-yl)acrylaldehyde. With a topological polar surface area (TPSA) of 39.07 Ų, 3-(1-acetyl-1H-indol-3-yl)acrylaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-acetyl-1H-indol-3-yl)acrylaldehyde has 0 hydrogen bond donor(s) and 2 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 3-(1-acetyl-1H-indol-3-yl)acrylaldehyde?
The CAS number of 3-(1-acetyl-1H-indol-3-yl)acrylaldehyde is 290365-72-9.
What is the molecular formula of 3-(1-acetyl-1H-indol-3-yl)acrylaldehyde?
The molecular formula of 3-(1-acetyl-1H-indol-3-yl)acrylaldehyde is C13H11NO2.
What is the molecular weight of 3-(1-acetyl-1H-indol-3-yl)acrylaldehyde?
The molecular weight of 3-(1-acetyl-1H-indol-3-yl)acrylaldehyde is 213.08 g/mol.
Where can I buy 3-(1-acetyl-1H-indol-3-yl)acrylaldehyde?
You can request a quote for 3-(1-acetyl-1H-indol-3-yl)acrylaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-acetyl-1H-indol-3-yl)acrylaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-acetyl-1H-indol-3-yl)acrylaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.