2-(5-bromo-3-formyl-1H-indol-1-yl)-N,N-diethylacetamide
TL;DR: 2-(5-bromo-3-formyl-1H-indol-1-yl)-N,N-diethylacetamide (CAS 499111-79-4) is a chemical compound with molecular formula C15H17BrN2O2 and molecular weight 336.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-bromo-3-formylindol-1-yl)-N,N-diethylacetamide
Also Known As: 2-(5-bromo-3-formyl-1H-indol-1-yl)-N,N-diethylacetamide, BAS 04349189, 2-(5-bromo-3-formylindol-1-yl)-N,N-diethylacetamide, 2-(5-bromo-3-formylindolyl)-N,N-diethylacetamide, AO-081/41130652
| Molecular Formula | C15H17BrN2O2 |
|---|---|
| Molecular Weight | 336.05 g/mol |
| LogP | 3.0847 |
| Topological Polar Surface Area | 42.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.04733 |
| Heavy Atoms | 20 |
| Complexity | 644.6061 |
Chemical Identifiers
| CAS Number | 499111-79-4 |
|---|---|
| SMILES | CCN(CC)C(=O)CN1C=C(C2=C1C=CC(=C2)Br)C=O |
Product Overview
2-(5-bromo-3-formyl-1H-indol-1-yl)-N,N-diethylacetamide (CAS 499111-79-4), with molecular formula C15H17BrN2O2 and molecular weight 336.05 g/mol. IUPAC: 2-(5-bromo-3-formylindol-1-yl)-N,N-diethylacetamide.
Chemical Property Profile of 2-(5-bromo-3-formyl-1H-indol-1-yl)-N,N-diethylacetamide
Property Insights of 2-(5-bromo-3-formyl-1H-indol-1-yl)-N,N-diethylacetamide
The XLogP value of 3.0847 indicates that 2-(5-bromo-3-formyl-1H-indol-1-yl)-N,N-diethylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.31 Ų, 2-(5-bromo-3-formyl-1H-indol-1-yl)-N,N-diethylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-bromo-3-formyl-1H-indol-1-yl)-N,N-diethylacetamide 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 2-(5-bromo-3-formyl-1H-indol-1-yl)-N,N-diethylacetamide?
The CAS number of 2-(5-bromo-3-formyl-1H-indol-1-yl)-N,N-diethylacetamide is 499111-79-4.
What is the molecular formula of 2-(5-bromo-3-formyl-1H-indol-1-yl)-N,N-diethylacetamide?
The molecular formula of 2-(5-bromo-3-formyl-1H-indol-1-yl)-N,N-diethylacetamide is C15H17BrN2O2.
What is the molecular weight of 2-(5-bromo-3-formyl-1H-indol-1-yl)-N,N-diethylacetamide?
The molecular weight of 2-(5-bromo-3-formyl-1H-indol-1-yl)-N,N-diethylacetamide is 336.05 g/mol.
Where can I buy 2-(5-bromo-3-formyl-1H-indol-1-yl)-N,N-diethylacetamide?
You can request a quote for 2-(5-bromo-3-formyl-1H-indol-1-yl)-N,N-diethylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-bromo-3-formyl-1H-indol-1-yl)-N,N-diethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-bromo-3-formyl-1H-indol-1-yl)-N,N-diethylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.