3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-, bromide
TL;DR: 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-, bromide (CAS 29636-94-0) is a chemical compound with molecular formula C13H18BrNO and molecular weight 283.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3,3-trimethylindol-1-ium-1-yl)ethanol bromide
Also Known As: 1-(2-Hydroxyethyl)-2,3,3-trimethyl-3H-indol-1-ium bromide, BIM-0021588.P001, 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-, bromide (1:1), 2-(2,3,3-trimethylindol-1-ium-1-yl)ethanol;bromide, 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-, bromide
| Molecular Formula | C13H18BrNO |
|---|---|
| Molecular Weight | 283.06 g/mol |
| LogP | -0.921 |
| Topological Polar Surface Area | 23.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.0572 |
| Heavy Atoms | 16 |
| Complexity | 423.6957 |
Chemical Identifiers
| CAS Number | 29636-94-0 |
|---|---|
| SMILES | CC1=[N+](C2=CC=CC=C2C1(C)C)CCO.[Br-] |
Product Overview
3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-, bromide (CAS 29636-94-0), with molecular formula C13H18BrNO and molecular weight 283.06 g/mol. IUPAC: 2-(2,3,3-trimethylindol-1-ium-1-yl)ethanol bromide.
Chemical Property Profile of 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-, bromide
Property Insights of 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-, bromide
The XLogP value of -0.921 indicates that 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-, bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 23.24 Ų, 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-, bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-, bromide has 1 hydrogen bond donor(s) and 1 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 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-, bromide?
The CAS number of 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-, bromide is 29636-94-0.
What is the molecular formula of 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-, bromide?
The molecular formula of 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-, bromide is C13H18BrNO.
What is the molecular weight of 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-, bromide?
The molecular weight of 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-, bromide is 283.06 g/mol.
Where can I buy 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-, bromide?
You can request a quote for 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-, bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-, bromide?
Yes, KEHONG BIO provides custom synthesis services for 3H-Indolium, 1-(2-hydroxyethyl)-2,3,3-trimethyl-, bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.