ethyl 1-benzyl-6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate
TL;DR: ethyl 1-benzyl-6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate (CAS 146376-96-7) is a chemical compound with molecular formula C19H18BrNO3 and molecular weight 387.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-benzyl-6-bromo-5-hydroxy-2-methylindole-3-carboxylate
Also Known As: ethyl 1-benzyl-6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate, A1961/0082486, ethyl 1-benzyl-6-bromo-5-hydroxy-2-methylindole-3-carboxylate
| Molecular Formula | C19H18BrNO3 |
|---|---|
| Molecular Weight | 387.05 g/mol |
| LogP | 4.64282 |
| Topological Polar Surface Area | 51.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.047 |
| Heavy Atoms | 24 |
| Complexity | 900.1111 |
Chemical Identifiers
| CAS Number | 146376-96-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)CC3=CC=CC=C3)C |
Product Overview
ethyl 1-benzyl-6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate (CAS 146376-96-7), with molecular formula C19H18BrNO3 and molecular weight 387.05 g/mol. IUPAC: ethyl 1-benzyl-6-bromo-5-hydroxy-2-methylindole-3-carboxylate.
Chemical Property Profile of ethyl 1-benzyl-6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate
Property Insights of ethyl 1-benzyl-6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate
The XLogP value of 4.64282 indicates that ethyl 1-benzyl-6-bromo-5-hydroxy-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 51.46 Ų, ethyl 1-benzyl-6-bromo-5-hydroxy-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-6-bromo-5-hydroxy-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 1-benzyl-6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate?
The CAS number of ethyl 1-benzyl-6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate is 146376-96-7.
What is the molecular formula of ethyl 1-benzyl-6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate?
The molecular formula of ethyl 1-benzyl-6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate is C19H18BrNO3.
What is the molecular weight of ethyl 1-benzyl-6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate?
The molecular weight of ethyl 1-benzyl-6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate is 387.05 g/mol.
Where can I buy ethyl 1-benzyl-6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate?
You can request a quote for ethyl 1-benzyl-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 1-benzyl-6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-benzyl-6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.