methyl 4-(1-methyl-1H-indol-3-yl)butanoate
TL;DR: methyl 4-(1-methyl-1H-indol-3-yl)butanoate (CAS 149287-21-8) is a chemical compound with molecular formula C14H17NO2 and molecular weight 231.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-(1-methylindol-3-yl)butanoate
Also Known As: methyl 4-(1-methyl-1H-indol-3-yl)butanoate, Methyl 4-(1-methylindol-3-yl)butanoate, methyl 4-(1-methyl-3-indolyl)butanoate, J2.427.315F, 1-Methyl-1H-indole-3-butanoic acid methyl ester
Technical Specifications
| Molecular Formula | C14H17NO2 |
| Molecular Weight | 231.12593 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.12593 Da |
| Heavy Atoms | 17 |
| Complexity | 267.0 |
| SMILES | CN1C=C(C2=CC=CC=C21)CCCC(=O)OC |
| InChIKey | KVGWWDKBQUXCQA-UHFFFAOYSA-N |
Chemical Property Profile of methyl 4-(1-methyl-1H-indol-3-yl)butanoate
Property Insights of methyl 4-(1-methyl-1H-indol-3-yl)butanoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(1-methyl-1H-indol-3-yl)butanoate. With a topological polar surface area (TPSA) of 31.2 Ų, methyl 4-(1-methyl-1H-indol-3-yl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-(1-methyl-1H-indol-3-yl)butanoate 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
What is the CAS number of methyl 4-(1-methyl-1H-indol-3-yl)butanoate?
The CAS number of methyl 4-(1-methyl-1H-indol-3-yl)butanoate is 149287-21-8.
What is the molecular formula of methyl 4-(1-methyl-1H-indol-3-yl)butanoate?
The molecular formula of methyl 4-(1-methyl-1H-indol-3-yl)butanoate is C14H17NO2.
What is the molecular weight of methyl 4-(1-methyl-1H-indol-3-yl)butanoate?
The molecular weight of methyl 4-(1-methyl-1H-indol-3-yl)butanoate is 231.12593 g/mol.
Where can I buy methyl 4-(1-methyl-1H-indol-3-yl)butanoate?
You can request a quote for methyl 4-(1-methyl-1H-indol-3-yl)butanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 4-(1-methyl-1H-indol-3-yl)butanoate?
Yes, CoreyChem provides custom synthesis services for methyl 4-(1-methyl-1H-indol-3-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.