Ethyl 6-bromo-5-methoxy-2-methyl-1-phenyl-1H-indole-3-carboxylate
TL;DR: Ethyl 6-bromo-5-methoxy-2-methyl-1-phenyl-1H-indole-3-carboxylate (CAS 40945-74-2) 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 6-bromo-5-methoxy-2-methyl-1-phenylindole-3-carboxylate
Also Known As: Ethyl 6-bromo-5-methoxy-2-methyl-1-phenyl-1H-indole-3-carboxylate, ethyl 6-bromo-5-methoxy-2-methyl-1-phenylindole-3-carboxylate, A0305/0013944, ethyl 6-bromo-5-methoxy-2-methyl-1-phenyl-indole-3-carboxylate, Ethyl 6-bromo-5-methoxy-2-methyl-1-phenyl-1H-indole-3-carboxylate #
| Molecular Formula | C19H18BrNO3 |
|---|---|
| Molecular Weight | 387.05 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.047 |
| Heavy Atoms | 24 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 40945-74-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)C |
| InChIKey | KKDMHTWNMLCNHV-UHFFFAOYSA-N |
Product Overview
Ethyl 6-bromo-5-methoxy-2-methyl-1-phenyl-1H-indole-3-carboxylate (CAS 40945-74-2), with molecular formula C19H18BrNO3 and molecular weight 387.05 g/mol. IUPAC: ethyl 6-bromo-5-methoxy-2-methyl-1-phenylindole-3-carboxylate.
Chemical Property Profile of Ethyl 6-bromo-5-methoxy-2-methyl-1-phenyl-1H-indole-3-carboxylate
Property Insights of Ethyl 6-bromo-5-methoxy-2-methyl-1-phenyl-1H-indole-3-carboxylate
The XLogP value of 4.9 indicates that Ethyl 6-bromo-5-methoxy-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 40.5 Ų, Ethyl 6-bromo-5-methoxy-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-methoxy-2-methyl-1-phenyl-1H-indole-3-carboxylate has 0 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-methoxy-2-methyl-1-phenyl-1H-indole-3-carboxylate?
The CAS number of Ethyl 6-bromo-5-methoxy-2-methyl-1-phenyl-1H-indole-3-carboxylate is 40945-74-2.
What is the molecular formula of Ethyl 6-bromo-5-methoxy-2-methyl-1-phenyl-1H-indole-3-carboxylate?
The molecular formula of Ethyl 6-bromo-5-methoxy-2-methyl-1-phenyl-1H-indole-3-carboxylate is C19H18BrNO3.
What is the molecular weight of Ethyl 6-bromo-5-methoxy-2-methyl-1-phenyl-1H-indole-3-carboxylate?
The molecular weight of Ethyl 6-bromo-5-methoxy-2-methyl-1-phenyl-1H-indole-3-carboxylate is 387.05 g/mol.
Where can I buy Ethyl 6-bromo-5-methoxy-2-methyl-1-phenyl-1H-indole-3-carboxylate?
You can request a quote for Ethyl 6-bromo-5-methoxy-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-methoxy-2-methyl-1-phenyl-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-bromo-5-methoxy-2-methyl-1-phenyl-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.