1-butyl-1H-indole-3-carbaldehyde
TL;DR: 1-butyl-1H-indole-3-carbaldehyde (CAS 119491-09-7) is a chemical compound with molecular formula C13H15NO and molecular weight 201.11537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-butylindole-3-carbaldehyde
Also Known As: 1-butyl-1H-indole-3-carbaldehyde, 1-butylindole-3-carbaldehyde, 4-Methylenespiro<2.7>decane, 1H-Indole-3-carboxaldehyde, 1-butyl-, 1-Butyl-1H-indole-3-carboxaldehyde
Technical Specifications
| Molecular Formula | C13H15NO |
| Molecular Weight | 201.11537 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 201.11537 Da |
| Heavy Atoms | 15 |
| Complexity | 217.0 |
| SMILES | CCCCN1C=C(C2=CC=CC=C21)C=O |
| InChIKey | DOMRUOQXWPPSQH-UHFFFAOYSA-N |
Chemical Property Profile of 1-butyl-1H-indole-3-carbaldehyde
Property Insights of 1-butyl-1H-indole-3-carbaldehyde
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-butyl-1H-indole-3-carbaldehyde. With a topological polar surface area (TPSA) of 22.0 Ų, 1-butyl-1H-indole-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-butyl-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-butyl-1H-indole-3-carbaldehyde?
The CAS number of 1-butyl-1H-indole-3-carbaldehyde is 119491-09-7.
What is the molecular formula of 1-butyl-1H-indole-3-carbaldehyde?
The molecular formula of 1-butyl-1H-indole-3-carbaldehyde is C13H15NO.
What is the molecular weight of 1-butyl-1H-indole-3-carbaldehyde?
The molecular weight of 1-butyl-1H-indole-3-carbaldehyde is 201.11537 g/mol.
Where can I buy 1-butyl-1H-indole-3-carbaldehyde?
You can request a quote for 1-butyl-1H-indole-3-carbaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-butyl-1H-indole-3-carbaldehyde?
Yes, CoreyChem provides custom synthesis services for 1-butyl-1H-indole-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.