ethyl 1-benzyl-5-ethoxy-2-methyl-1H-indole-3-carboxylate
TL;DR: ethyl 1-benzyl-5-ethoxy-2-methyl-1H-indole-3-carboxylate (CAS 342383-34-0) is a chemical compound with molecular formula C21H23NO3 and molecular weight 337.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-benzyl-5-ethoxy-2-methylindole-3-carboxylate
Also Known As: ethyl 1-benzyl-5-ethoxy-2-methylindole-3-carboxylate, ethyl 1-benzyl-5-ethoxy-2-methyl-1H-indole-3-carboxylate, Ethyl 1-benzyl-5-ethoxy-2-methyl-indole-3-carboxylate
| Molecular Formula | C21H23NO3 |
|---|---|
| Molecular Weight | 337.17 g/mol |
| LogP | 4.57342 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.1678 |
| Heavy Atoms | 25 |
| Complexity | 881.0426 |
Chemical Identifiers
| CAS Number | 342383-34-0 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N(C(=C2C(=O)OCC)C)CC3=CC=CC=C3 |
Product Overview
ethyl 1-benzyl-5-ethoxy-2-methyl-1H-indole-3-carboxylate (CAS 342383-34-0), with molecular formula C21H23NO3 and molecular weight 337.17 g/mol. IUPAC: ethyl 1-benzyl-5-ethoxy-2-methylindole-3-carboxylate.
Chemical Property Profile of ethyl 1-benzyl-5-ethoxy-2-methyl-1H-indole-3-carboxylate
Property Insights of ethyl 1-benzyl-5-ethoxy-2-methyl-1H-indole-3-carboxylate
The XLogP value of 4.57342 indicates that ethyl 1-benzyl-5-ethoxy-2-methyl-1H-indole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, ethyl 1-benzyl-5-ethoxy-2-methyl-1H-indole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 1-benzyl-5-ethoxy-2-methyl-1H-indole-3-carboxylate has 0 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 ethyl 1-benzyl-5-ethoxy-2-methyl-1H-indole-3-carboxylate?
The CAS number of ethyl 1-benzyl-5-ethoxy-2-methyl-1H-indole-3-carboxylate is 342383-34-0.
What is the molecular formula of ethyl 1-benzyl-5-ethoxy-2-methyl-1H-indole-3-carboxylate?
The molecular formula of ethyl 1-benzyl-5-ethoxy-2-methyl-1H-indole-3-carboxylate is C21H23NO3.
What is the molecular weight of ethyl 1-benzyl-5-ethoxy-2-methyl-1H-indole-3-carboxylate?
The molecular weight of ethyl 1-benzyl-5-ethoxy-2-methyl-1H-indole-3-carboxylate is 337.17 g/mol.
Where can I buy ethyl 1-benzyl-5-ethoxy-2-methyl-1H-indole-3-carboxylate?
You can request a quote for ethyl 1-benzyl-5-ethoxy-2-methyl-1H-indole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 1-benzyl-5-ethoxy-2-methyl-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-benzyl-5-ethoxy-2-methyl-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.