(3,5-dimethylphenyl)methyl 4-(1H-indol-3-yl)butanoate
TL;DR: (3,5-dimethylphenyl)methyl 4-(1H-indol-3-yl)butanoate (CAS 860784-03-8) is a chemical compound with molecular formula C21H23NO2 and molecular weight 321.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethylphenyl)methyl 4-(1H-indol-3-yl)butanoate
Also Known As: (3,5-dimethylphenyl)methyl 4-(1H-indol-3-yl)butanoate, 3,5-dimethylbenzyl 4-(1H-indol-3-yl)butanoate, 11W-0840, (3,5-dimethylphenyl)methyl4-(1H-indol-3-yl)butanoate
| Molecular Formula | C21H23NO2 |
|---|---|
| Molecular Weight | 321.17 g/mol |
| LogP | 4.85084 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.17288 |
| Heavy Atoms | 24 |
| Complexity | 827.67096 |
Chemical Identifiers
| CAS Number | 860784-03-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)COC(=O)CCCC2=CNC3=CC=CC=C32)C |
Product Overview
(3,5-dimethylphenyl)methyl 4-(1H-indol-3-yl)butanoate (CAS 860784-03-8), with molecular formula C21H23NO2 and molecular weight 321.17 g/mol. IUPAC: (3,5-dimethylphenyl)methyl 4-(1H-indol-3-yl)butanoate.
Chemical Property Profile of (3,5-dimethylphenyl)methyl 4-(1H-indol-3-yl)butanoate
Property Insights of (3,5-dimethylphenyl)methyl 4-(1H-indol-3-yl)butanoate
The XLogP value of 4.85084 indicates that (3,5-dimethylphenyl)methyl 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, (3,5-dimethylphenyl)methyl 4-(1H-indol-3-yl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,5-dimethylphenyl)methyl 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 (3,5-dimethylphenyl)methyl 4-(1H-indol-3-yl)butanoate?
The CAS number of (3,5-dimethylphenyl)methyl 4-(1H-indol-3-yl)butanoate is 860784-03-8.
What is the molecular formula of (3,5-dimethylphenyl)methyl 4-(1H-indol-3-yl)butanoate?
The molecular formula of (3,5-dimethylphenyl)methyl 4-(1H-indol-3-yl)butanoate is C21H23NO2.
What is the molecular weight of (3,5-dimethylphenyl)methyl 4-(1H-indol-3-yl)butanoate?
The molecular weight of (3,5-dimethylphenyl)methyl 4-(1H-indol-3-yl)butanoate is 321.17 g/mol.
Where can I buy (3,5-dimethylphenyl)methyl 4-(1H-indol-3-yl)butanoate?
You can request a quote for (3,5-dimethylphenyl)methyl 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 (3,5-dimethylphenyl)methyl 4-(1H-indol-3-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (3,5-dimethylphenyl)methyl 4-(1H-indol-3-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.