ethyl 6-bromo-1,2,5-trimethyl-1H-indole-3-carboxylate
TL;DR: ethyl 6-bromo-1,2,5-trimethyl-1H-indole-3-carboxylate (CAS 40945-85-5) is a chemical compound with molecular formula C14H16BrNO2 and molecular weight 309.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-1,2,5-trimethylindole-3-carboxylate
Also Known As: ethyl 6-bromo-1,2,5-trimethyl-1H-indole-3-carboxylate, ethyl 6-bromo-1,2,5-trimethylindole-3-carboxylate, 1,2,5-trimethyl-3-carbethoxy-6-bromoindole
| Molecular Formula | C14H16BrNO2 |
|---|---|
| Molecular Weight | 309.04 g/mol |
| LogP | 3.73434 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.03644 |
| Heavy Atoms | 18 |
| Complexity | 628.4911 |
Chemical Identifiers
| CAS Number | 40945-85-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C(=C2)Br)C)C)C |
Product Overview
ethyl 6-bromo-1,2,5-trimethyl-1H-indole-3-carboxylate (CAS 40945-85-5), with molecular formula C14H16BrNO2 and molecular weight 309.04 g/mol. IUPAC: ethyl 6-bromo-1,2,5-trimethylindole-3-carboxylate.
Chemical Property Profile of ethyl 6-bromo-1,2,5-trimethyl-1H-indole-3-carboxylate
Property Insights of ethyl 6-bromo-1,2,5-trimethyl-1H-indole-3-carboxylate
The XLogP value of 3.73434 indicates that ethyl 6-bromo-1,2,5-trimethyl-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 31.23 Ų, ethyl 6-bromo-1,2,5-trimethyl-1H-indole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 6-bromo-1,2,5-trimethyl-1H-indole-3-carboxylate has 0 hydrogen bond donor(s) and 2 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-1,2,5-trimethyl-1H-indole-3-carboxylate?
The CAS number of ethyl 6-bromo-1,2,5-trimethyl-1H-indole-3-carboxylate is 40945-85-5.
What is the molecular formula of ethyl 6-bromo-1,2,5-trimethyl-1H-indole-3-carboxylate?
The molecular formula of ethyl 6-bromo-1,2,5-trimethyl-1H-indole-3-carboxylate is C14H16BrNO2.
What is the molecular weight of ethyl 6-bromo-1,2,5-trimethyl-1H-indole-3-carboxylate?
The molecular weight of ethyl 6-bromo-1,2,5-trimethyl-1H-indole-3-carboxylate is 309.04 g/mol.
Where can I buy ethyl 6-bromo-1,2,5-trimethyl-1H-indole-3-carboxylate?
You can request a quote for ethyl 6-bromo-1,2,5-trimethyl-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-1,2,5-trimethyl-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-bromo-1,2,5-trimethyl-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.