ethyl 5-tert-butyl-3-formyl-1H-indole-2-carboxylate
TL;DR: ethyl 5-tert-butyl-3-formyl-1H-indole-2-carboxylate (CAS 586336-73-4) is a chemical compound with molecular formula C16H19NO3 and molecular weight 273.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-tert-butyl-3-formyl-1H-indole-2-carboxylate
Also Known As: ethyl 5-tert-butyl-3-formyl-1H-indole-2-carboxylate, Ethyl 5-(tert-butyl)-3-formyl-1H-indole-2-carboxylate, BB 0249883, 1H-Indole-2-carboxylic acid, 5-(1,1-dime, Ethyl 3-formyl-5-tert-butyl-1H-indole-2-carboxylate
| Molecular Formula | C16H19NO3 |
|---|---|
| Molecular Weight | 273.14 g/mol |
| LogP | 3.4546 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.1365 |
| Heavy Atoms | 20 |
| Complexity | 662.1472 |
Chemical Identifiers
| CAS Number | 586336-73-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)C(C)(C)C)C=O |
Product Overview
ethyl 5-tert-butyl-3-formyl-1H-indole-2-carboxylate (CAS 586336-73-4), with molecular formula C16H19NO3 and molecular weight 273.14 g/mol. IUPAC: ethyl 5-tert-butyl-3-formyl-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 5-tert-butyl-3-formyl-1H-indole-2-carboxylate
Property Insights of ethyl 5-tert-butyl-3-formyl-1H-indole-2-carboxylate
The XLogP value of 3.4546 indicates that ethyl 5-tert-butyl-3-formyl-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.16 Ų, ethyl 5-tert-butyl-3-formyl-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 5-tert-butyl-3-formyl-1H-indole-2-carboxylate 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 ethyl 5-tert-butyl-3-formyl-1H-indole-2-carboxylate?
The CAS number of ethyl 5-tert-butyl-3-formyl-1H-indole-2-carboxylate is 586336-73-4.
What is the molecular formula of ethyl 5-tert-butyl-3-formyl-1H-indole-2-carboxylate?
The molecular formula of ethyl 5-tert-butyl-3-formyl-1H-indole-2-carboxylate is C16H19NO3.
What is the molecular weight of ethyl 5-tert-butyl-3-formyl-1H-indole-2-carboxylate?
The molecular weight of ethyl 5-tert-butyl-3-formyl-1H-indole-2-carboxylate is 273.14 g/mol.
Where can I buy ethyl 5-tert-butyl-3-formyl-1H-indole-2-carboxylate?
You can request a quote for ethyl 5-tert-butyl-3-formyl-1H-indole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-tert-butyl-3-formyl-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-tert-butyl-3-formyl-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.