ethyl 6-bromo-5-hydroxy-2-methyl-1-phenyl-1H-indole-3-carboxylate
TL;DR: ethyl 6-bromo-5-hydroxy-2-methyl-1-phenyl-1H-indole-3-carboxylate (CAS 40945-72-0) is a chemical compound with molecular formula C18H16BrNO3 and molecular weight 373.03 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-1-phenylindole-3-carboxylate
Also Known As: ethyl 6-bromo-5-hydroxy-2-methyl-1-phenyl-1H-indole-3-carboxylate, BAS 00729896, ethyl 6-bromo-5-hydroxy-2-methyl-1-phenylindole-3-carboxylate, A0305/0013942, ethyl 6-bromo-5-hydroxy-2-methyl-1-phenyl-indole-3-carboxylate
| Molecular Formula | C18H16BrNO3 |
|---|---|
| Molecular Weight | 373.03 g/mol |
| LogP | 4.58372 |
| Topological Polar Surface Area | 51.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.03137 |
| Heavy Atoms | 23 |
| Complexity | 884.41327 |
Chemical Identifiers
| CAS Number | 40945-72-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)C |
Product Overview
ethyl 6-bromo-5-hydroxy-2-methyl-1-phenyl-1H-indole-3-carboxylate (CAS 40945-72-0), with molecular formula C18H16BrNO3 and molecular weight 373.03 g/mol. IUPAC: ethyl 6-bromo-5-hydroxy-2-methyl-1-phenylindole-3-carboxylate.
Chemical Property Profile of ethyl 6-bromo-5-hydroxy-2-methyl-1-phenyl-1H-indole-3-carboxylate
Property Insights of ethyl 6-bromo-5-hydroxy-2-methyl-1-phenyl-1H-indole-3-carboxylate
The XLogP value of 4.58372 indicates that ethyl 6-bromo-5-hydroxy-2-methyl-1-phenyl-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 6-bromo-5-hydroxy-2-methyl-1-phenyl-1H-indole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 6-bromo-5-hydroxy-2-methyl-1-phenyl-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 6-bromo-5-hydroxy-2-methyl-1-phenyl-1H-indole-3-carboxylate?
The CAS number of ethyl 6-bromo-5-hydroxy-2-methyl-1-phenyl-1H-indole-3-carboxylate is 40945-72-0.
What is the molecular formula of ethyl 6-bromo-5-hydroxy-2-methyl-1-phenyl-1H-indole-3-carboxylate?
The molecular formula of ethyl 6-bromo-5-hydroxy-2-methyl-1-phenyl-1H-indole-3-carboxylate is C18H16BrNO3.
What is the molecular weight of ethyl 6-bromo-5-hydroxy-2-methyl-1-phenyl-1H-indole-3-carboxylate?
The molecular weight of ethyl 6-bromo-5-hydroxy-2-methyl-1-phenyl-1H-indole-3-carboxylate is 373.03 g/mol.
Where can I buy ethyl 6-bromo-5-hydroxy-2-methyl-1-phenyl-1H-indole-3-carboxylate?
You can request a quote for ethyl 6-bromo-5-hydroxy-2-methyl-1-phenyl-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-1-phenyl-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-bromo-5-hydroxy-2-methyl-1-phenyl-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.