Methyl 4-(indol-3-yl)butyrate
TL;DR: Methyl 4-(indol-3-yl)butyrate (CAS 15591-70-5) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(1H-indol-3-yl)butanoate
Also Known As: Methyl 4-(1H-indol-3-yl)butanoate, Methyl indole-3-butyrate, Methyl 4-(indol-3-yl)butyrate, 3-INDOLEBUTYRIC ACID METHYL ESTER, 1H-Indole-3-butanoic acid, methyl ester
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 15591-70-5 |
|---|---|
| SMILES | COC(=O)CCCC1=CNC2=CC=CC=C21 |
| InChIKey | ZEJUFCOACOWDPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-(indol-3-yl)butyrate (CAS 15591-70-5), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: methyl 4-(1H-indol-3-yl)butanoate.
Chemical Property Profile of Methyl 4-(indol-3-yl)butyrate
Property Insights of Methyl 4-(indol-3-yl)butyrate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(indol-3-yl)butyrate. With a topological polar surface area (TPSA) of 42.1 Ų, Methyl 4-(indol-3-yl)butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(indol-3-yl)butyrate has 1 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 Methyl 4-(indol-3-yl)butyrate?
The CAS number of Methyl 4-(indol-3-yl)butyrate is 15591-70-5.
What is the molecular formula of Methyl 4-(indol-3-yl)butyrate?
The molecular formula of Methyl 4-(indol-3-yl)butyrate is C13H15NO2.
What is the molecular weight of Methyl 4-(indol-3-yl)butyrate?
The molecular weight of Methyl 4-(indol-3-yl)butyrate is 217.11 g/mol.
Where can I buy Methyl 4-(indol-3-yl)butyrate?
You can request a quote for Methyl 4-(indol-3-yl)butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(indol-3-yl)butyrate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(indol-3-yl)butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.