benzyl 4-(1H-indol-3-yl)butanoate
TL;DR: benzyl 4-(1H-indol-3-yl)butanoate (CAS 55747-37-0) is a chemical compound with molecular formula C19H19NO2 and molecular weight 293.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(1H-indol-3-yl)butanoate
Also Known As: benzyl 4-(1H-indol-3-yl)butanoate, benzyl 4-(3-indolyl)butyrate, benzyl 4-(1H-indol-3-yl)butyrate, benzyl4-(1H-indol-3-yl)butanoate, 1H-Indole-3-butanoic acid benzyl ester
| Molecular Formula | C19H19NO2 |
|---|---|
| Molecular Weight | 293.14 g/mol |
| LogP | 4.234 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 293.14157 |
| Heavy Atoms | 22 |
| Complexity | 746.2309 |
Chemical Identifiers
| CAS Number | 55747-37-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CCCC2=CNC3=CC=CC=C32 |
Product Overview
benzyl 4-(1H-indol-3-yl)butanoate (CAS 55747-37-0), with molecular formula C19H19NO2 and molecular weight 293.14 g/mol. IUPAC: benzyl 4-(1H-indol-3-yl)butanoate.
Chemical Property Profile of benzyl 4-(1H-indol-3-yl)butanoate
Property Insights of benzyl 4-(1H-indol-3-yl)butanoate
The XLogP value of 4.234 indicates that benzyl 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 42.09 Ų, benzyl 4-(1H-indol-3-yl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl 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 benzyl 4-(1H-indol-3-yl)butanoate?
The CAS number of benzyl 4-(1H-indol-3-yl)butanoate is 55747-37-0.
What is the molecular formula of benzyl 4-(1H-indol-3-yl)butanoate?
The molecular formula of benzyl 4-(1H-indol-3-yl)butanoate is C19H19NO2.
What is the molecular weight of benzyl 4-(1H-indol-3-yl)butanoate?
The molecular weight of benzyl 4-(1H-indol-3-yl)butanoate is 293.14 g/mol.
Where can I buy benzyl 4-(1H-indol-3-yl)butanoate?
You can request a quote for benzyl 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 benzyl 4-(1H-indol-3-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 4-(1H-indol-3-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.