1-Allyl-1H-indole-3-carbaldehyde
TL;DR: 1-Allyl-1H-indole-3-carbaldehyde (CAS 111480-86-5) is a chemical compound with molecular formula C12H11NO and molecular weight 185.08406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-prop-2-enylindole-3-carbaldehyde
Also Known As: 1-Allyl-1H-indole-3-carbaldehyde, 1-prop-2-enylindole-3-carbaldehyde, 1-allylindole-3-carbaldehyde, 1-(prop-2-en-1-yl)-1H-indole-3-carbaldehyde, ASISCHEM R39437
Technical Specifications
| Molecular Formula | C12H11NO |
| Molecular Weight | 185.08406 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.08406 Da |
| Heavy Atoms | 14 |
| Complexity | 226.0 |
| SMILES | C=CCN1C=C(C2=CC=CC=C21)C=O |
| InChIKey | UFIVJAIYQNRQOK-UHFFFAOYSA-N |
Chemical Property Profile of 1-Allyl-1H-indole-3-carbaldehyde
Property Insights of 1-Allyl-1H-indole-3-carbaldehyde
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Allyl-1H-indole-3-carbaldehyde. With a topological polar surface area (TPSA) of 22.0 Ų, 1-Allyl-1H-indole-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Allyl-1H-indole-3-carbaldehyde has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Allyl-1H-indole-3-carbaldehyde?
The CAS number of 1-Allyl-1H-indole-3-carbaldehyde is 111480-86-5.
What is the molecular formula of 1-Allyl-1H-indole-3-carbaldehyde?
The molecular formula of 1-Allyl-1H-indole-3-carbaldehyde is C12H11NO.
What is the molecular weight of 1-Allyl-1H-indole-3-carbaldehyde?
The molecular weight of 1-Allyl-1H-indole-3-carbaldehyde is 185.08406 g/mol.
Where can I buy 1-Allyl-1H-indole-3-carbaldehyde?
You can request a quote for 1-Allyl-1H-indole-3-carbaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Allyl-1H-indole-3-carbaldehyde?
Yes, CoreyChem provides custom synthesis services for 1-Allyl-1H-indole-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.