2-oxo-2-(p-tolyl)ethyl 3-(1H-indol-3-yl)propanoate
TL;DR: 2-oxo-2-(p-tolyl)ethyl 3-(1H-indol-3-yl)propanoate (CAS 799266-12-9) is a chemical compound with molecular formula C20H19NO3 and molecular weight 321.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methylphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
Also Known As: BAS 07243901, 2-(4-methylphenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate, 2-oxo-2-(p-tolyl)ethyl 3-(1H-indol-3-yl)propanoate, [2-(4-methylphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate, F1695-0068
| Molecular Formula | C20H19NO3 |
|---|---|
| Molecular Weight | 321.14 g/mol |
| LogP | 3.83502 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.1365 |
| Heavy Atoms | 24 |
| Complexity | 861.98114 |
Chemical Identifiers
| CAS Number | 799266-12-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)COC(=O)CCC2=CNC3=CC=CC=C32 |
Product Overview
2-oxo-2-(p-tolyl)ethyl 3-(1H-indol-3-yl)propanoate (CAS 799266-12-9), with molecular formula C20H19NO3 and molecular weight 321.14 g/mol. IUPAC: [2-(4-methylphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.
Chemical Property Profile of 2-oxo-2-(p-tolyl)ethyl 3-(1H-indol-3-yl)propanoate
Property Insights of 2-oxo-2-(p-tolyl)ethyl 3-(1H-indol-3-yl)propanoate
The XLogP value of 3.83502 indicates that 2-oxo-2-(p-tolyl)ethyl 3-(1H-indol-3-yl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.16 Ų, 2-oxo-2-(p-tolyl)ethyl 3-(1H-indol-3-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-oxo-2-(p-tolyl)ethyl 3-(1H-indol-3-yl)propanoate has 1 hydrogen bond donor(s) and 3 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 2-oxo-2-(p-tolyl)ethyl 3-(1H-indol-3-yl)propanoate?
The CAS number of 2-oxo-2-(p-tolyl)ethyl 3-(1H-indol-3-yl)propanoate is 799266-12-9.
What is the molecular formula of 2-oxo-2-(p-tolyl)ethyl 3-(1H-indol-3-yl)propanoate?
The molecular formula of 2-oxo-2-(p-tolyl)ethyl 3-(1H-indol-3-yl)propanoate is C20H19NO3.
What is the molecular weight of 2-oxo-2-(p-tolyl)ethyl 3-(1H-indol-3-yl)propanoate?
The molecular weight of 2-oxo-2-(p-tolyl)ethyl 3-(1H-indol-3-yl)propanoate is 321.14 g/mol.
Where can I buy 2-oxo-2-(p-tolyl)ethyl 3-(1H-indol-3-yl)propanoate?
You can request a quote for 2-oxo-2-(p-tolyl)ethyl 3-(1H-indol-3-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-oxo-2-(p-tolyl)ethyl 3-(1H-indol-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-oxo-2-(p-tolyl)ethyl 3-(1H-indol-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.