propan-2-yl 4-(1H-indol-3-yl)butanoate
TL;DR: propan-2-yl 4-(1H-indol-3-yl)butanoate (CAS 55747-33-6) is a chemical compound with molecular formula C15H19NO2 and molecular weight 245.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-(1H-indol-3-yl)butanoate
Also Known As: propan-2-yl 4-(1H-indol-3-yl)butanoate, 4-indol-3-yl-butyric acid isopropyl ester
| Molecular Formula | C15H19NO2 |
|---|---|
| Molecular Weight | 245.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 245.14159 |
| Heavy Atoms | 18 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 55747-33-6 |
|---|---|
| SMILES | CC(C)OC(=O)CCCC1=CNC2=CC=CC=C21 |
| InChIKey | LABKADPWFQBFLR-UHFFFAOYSA-N |
Product Overview
propan-2-yl 4-(1H-indol-3-yl)butanoate (CAS 55747-33-6), with molecular formula C15H19NO2 and molecular weight 245.14 g/mol. IUPAC: propan-2-yl 4-(1H-indol-3-yl)butanoate.
Chemical Property Profile of propan-2-yl 4-(1H-indol-3-yl)butanoate
Property Insights of propan-2-yl 4-(1H-indol-3-yl)butanoate
The XLogP value of 3.4 indicates that propan-2-yl 4-(1H-indol-3-yl)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.1 Ų, propan-2-yl 4-(1H-indol-3-yl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, propan-2-yl 4-(1H-indol-3-yl)butanoate 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 propan-2-yl 4-(1H-indol-3-yl)butanoate?
The CAS number of propan-2-yl 4-(1H-indol-3-yl)butanoate is 55747-33-6.
What is the molecular formula of propan-2-yl 4-(1H-indol-3-yl)butanoate?
The molecular formula of propan-2-yl 4-(1H-indol-3-yl)butanoate is C15H19NO2.
What is the molecular weight of propan-2-yl 4-(1H-indol-3-yl)butanoate?
The molecular weight of propan-2-yl 4-(1H-indol-3-yl)butanoate is 245.14 g/mol.
Where can I buy propan-2-yl 4-(1H-indol-3-yl)butanoate?
You can request a quote for propan-2-yl 4-(1H-indol-3-yl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for propan-2-yl 4-(1H-indol-3-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for propan-2-yl 4-(1H-indol-3-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.