Indole-3-acetaldehyde
TL;DR: Indole-3-acetaldehyde (CAS 2591-98-2) is a chemical compound with molecular formula C10H9NO and molecular weight 159.06842 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1H-indol-3-yl)acetaldehyde
Also Known As: indole-3-acetaldehyde, 2-(1H-indol-3-yl)acetaldehyde, Indoleacetaldehyde, 1H-indole-3-acetaldehyde, Tryptaldehyde
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H9NO |
| Molecular Weight | 159.06842 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.06842 Da |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)CC=O |
| InChIKey | WHOOUMGHGSPMGR-UHFFFAOYSA-N |
Product Description
Applications: Indole-3-acetaldehyde is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Indole-3-acetaldehyde is a pharmaceutical intermediate identified by CAS number 2591-98-2 and the molecular formula C10H9NO and a molecular weight of 159.07 g/mol. Synonyms include indole-3-acetaldehyde and 2-(1H-indol-3-yl)acetaldehyde.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Indole-3-acetaldehyde
Property Insights of Indole-3-acetaldehyde
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole-3-acetaldehyde. With a topological polar surface area (TPSA) of 32.9 Ų, Indole-3-acetaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole-3-acetaldehyde has 1 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 Indole-3-acetaldehyde?
The CAS number of Indole-3-acetaldehyde is 2591-98-2.
What is the molecular formula of Indole-3-acetaldehyde?
The molecular formula of Indole-3-acetaldehyde is C10H9NO.
What is the molecular weight of Indole-3-acetaldehyde?
The molecular weight of Indole-3-acetaldehyde is 159.06842 g/mol.
What are the applications of Indole-3-acetaldehyde?
Indole-3-acetaldehyde is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Indole-3-acetaldehyde?
You can request a quote for Indole-3-acetaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Indole-3-acetaldehyde?
Yes, CoreyChem provides custom synthesis services for Indole-3-acetaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.