Ethyl 5-hydroxy-1-isobutyl-2-methyl-1H-indole-3-carboxylate
TL;DR: Ethyl 5-hydroxy-1-isobutyl-2-methyl-1H-indole-3-carboxylate (CAS 61793-35-9) is a chemical compound with molecular formula C16H21NO3 and molecular weight 275.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-hydroxy-2-methyl-1-(2-methylpropyl)indole-3-carboxylate
Also Known As: BIM-0036140.P001, Ethyl 5-hydroxy-1-isobutyl-2-methyl-1H-indole-3-carboxylate, ethyl 5-hydroxy-2-methyl-1-(2-methylpropyl)indole-3-carboxylate, A2136/0089661, ethyl 5-hydroxy-2-methyl-1-(2-methylpropyl)-1H-indole-3-carboxylate
| Molecular Formula | C16H21NO3 |
|---|---|
| Molecular Weight | 275.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.15213 |
| Heavy Atoms | 20 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 61793-35-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)CC(C)C)C |
| InChIKey | WIVRHTPQXBZLGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-hydroxy-1-isobutyl-2-methyl-1H-indole-3-carboxylate (CAS 61793-35-9), with molecular formula C16H21NO3 and molecular weight 275.15 g/mol. IUPAC: ethyl 5-hydroxy-2-methyl-1-(2-methylpropyl)indole-3-carboxylate.
Chemical Property Profile of Ethyl 5-hydroxy-1-isobutyl-2-methyl-1H-indole-3-carboxylate
Property Insights of Ethyl 5-hydroxy-1-isobutyl-2-methyl-1H-indole-3-carboxylate
The XLogP value of 3.5 indicates that Ethyl 5-hydroxy-1-isobutyl-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 51.5 Ų, Ethyl 5-hydroxy-1-isobutyl-2-methyl-1H-indole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-hydroxy-1-isobutyl-2-methyl-1H-indole-3-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-hydroxy-1-isobutyl-2-methyl-1H-indole-3-carboxylate?
The CAS number of Ethyl 5-hydroxy-1-isobutyl-2-methyl-1H-indole-3-carboxylate is 61793-35-9.
What is the molecular formula of Ethyl 5-hydroxy-1-isobutyl-2-methyl-1H-indole-3-carboxylate?
The molecular formula of Ethyl 5-hydroxy-1-isobutyl-2-methyl-1H-indole-3-carboxylate is C16H21NO3.
What is the molecular weight of Ethyl 5-hydroxy-1-isobutyl-2-methyl-1H-indole-3-carboxylate?
The molecular weight of Ethyl 5-hydroxy-1-isobutyl-2-methyl-1H-indole-3-carboxylate is 275.15 g/mol.
Where can I buy Ethyl 5-hydroxy-1-isobutyl-2-methyl-1H-indole-3-carboxylate?
You can request a quote for Ethyl 5-hydroxy-1-isobutyl-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 5-hydroxy-1-isobutyl-2-methyl-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-hydroxy-1-isobutyl-2-methyl-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.