3-(6-bromo-1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate
TL;DR: 3-(6-bromo-1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate (CAS 7239-32-9) is a chemical compound with molecular formula C14H17BrN2O2 and molecular weight 324.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-bromo-1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate
Also Known As: 6-Bromohypaphorine, 3-(6-bromo-1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate
| Molecular Formula | C14H17BrN2O2 |
|---|---|
| Molecular Weight | 324.05 g/mol |
| LogP | 1.2976 |
| Topological Polar Surface Area | 55.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.04733 |
| Heavy Atoms | 19 |
| Complexity | 613.42377 |
Chemical Identifiers
| CAS Number | 7239-32-9 |
|---|---|
| SMILES | C[N+](C)(C)C(CC1=CNC2=C1C=CC(=C2)Br)C(=O)[O-] |
Product Overview
3-(6-bromo-1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate (CAS 7239-32-9), with molecular formula C14H17BrN2O2 and molecular weight 324.05 g/mol. IUPAC: 3-(6-bromo-1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate.
Chemical Property Profile of 3-(6-bromo-1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate
Property Insights of 3-(6-bromo-1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate
The XLogP value of 1.2976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(6-bromo-1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate. With a topological polar surface area (TPSA) of 55.92 Ų, 3-(6-bromo-1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(6-bromo-1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate has 1 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 3-(6-bromo-1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate?
The CAS number of 3-(6-bromo-1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate is 7239-32-9.
What is the molecular formula of 3-(6-bromo-1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate?
The molecular formula of 3-(6-bromo-1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate is C14H17BrN2O2.
What is the molecular weight of 3-(6-bromo-1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate?
The molecular weight of 3-(6-bromo-1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate is 324.05 g/mol.
Where can I buy 3-(6-bromo-1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate?
You can request a quote for 3-(6-bromo-1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(6-bromo-1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-bromo-1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.