ethyl 6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate
TL;DR: ethyl 6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate (CAS 16052-67-8) is a chemical compound with molecular formula C12H12BrNO3 and molecular weight 297.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate
Also Known As: ethyl 6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate, BAS 01507910, 6-Bromo-5-hydroxy-2-methyl-1H-indole-3-arboxylic acid, ethyl ester, 6-Bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylic acid ethyl ester, 2-methyl-3-carbethoxy-5-hydroxy-6-bromoindole
| Molecular Formula | C12H12BrNO3 |
|---|---|
| Molecular Weight | 297.00 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.00006 |
| Heavy Atoms | 17 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 16052-67-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=CC(=C(C=C21)O)Br)C |
| InChIKey | IHGRXBMSSFFTJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate (CAS 16052-67-8), with molecular formula C12H12BrNO3 and molecular weight 297.00 g/mol. IUPAC: ethyl 6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate.
Chemical Property Profile of ethyl 6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate
Property Insights of ethyl 6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate
The XLogP value of 3.0 indicates that ethyl 6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate has 2 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 6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate?
The CAS number of ethyl 6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate is 16052-67-8.
What is the molecular formula of ethyl 6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate?
The molecular formula of ethyl 6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate is C12H12BrNO3.
What is the molecular weight of ethyl 6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate?
The molecular weight of ethyl 6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate is 297.00 g/mol.
Where can I buy ethyl 6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate?
You can request a quote for ethyl 6-bromo-5-hydroxy-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 6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.