ethyl 3-acetamido-5-bromo-1H-indole-2-carboxylate
TL;DR: ethyl 3-acetamido-5-bromo-1H-indole-2-carboxylate (CAS 330439-66-2) is a chemical compound with molecular formula C13H13BrN2O3 and molecular weight 324.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-acetamido-5-bromo-1H-indole-2-carboxylate
Also Known As: ethyl 3-acetamido-5-bromo-1H-indole-2-carboxylate, BAS 00416346, ethyl 3-(acetylamino)-5-bromo-1H-indole-2-carboxylate, 3-Acetylamino-5-bromo-1H-indole-2-carboxylic acid ethyl ester
| Molecular Formula | C13H13BrN2O3 |
|---|---|
| Molecular Weight | 324.01 g/mol |
| LogP | 3.0655 |
| Topological Polar Surface Area | 71.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.01096 |
| Heavy Atoms | 19 |
| Complexity | 648.6209 |
Chemical Identifiers
| CAS Number | 330439-66-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)C |
Product Overview
ethyl 3-acetamido-5-bromo-1H-indole-2-carboxylate (CAS 330439-66-2), with molecular formula C13H13BrN2O3 and molecular weight 324.01 g/mol. IUPAC: ethyl 3-acetamido-5-bromo-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 3-acetamido-5-bromo-1H-indole-2-carboxylate
Property Insights of ethyl 3-acetamido-5-bromo-1H-indole-2-carboxylate
The XLogP value of 3.0655 indicates that ethyl 3-acetamido-5-bromo-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-acetamido-5-bromo-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-acetamido-5-bromo-1H-indole-2-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 3-acetamido-5-bromo-1H-indole-2-carboxylate?
The CAS number of ethyl 3-acetamido-5-bromo-1H-indole-2-carboxylate is 330439-66-2.
What is the molecular formula of ethyl 3-acetamido-5-bromo-1H-indole-2-carboxylate?
The molecular formula of ethyl 3-acetamido-5-bromo-1H-indole-2-carboxylate is C13H13BrN2O3.
What is the molecular weight of ethyl 3-acetamido-5-bromo-1H-indole-2-carboxylate?
The molecular weight of ethyl 3-acetamido-5-bromo-1H-indole-2-carboxylate is 324.01 g/mol.
Where can I buy ethyl 3-acetamido-5-bromo-1H-indole-2-carboxylate?
You can request a quote for ethyl 3-acetamido-5-bromo-1H-indole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-acetamido-5-bromo-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-acetamido-5-bromo-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.