1-ethyl-2,3,3-trimethyl-3H-indolium
TL;DR: 1-ethyl-2,3,3-trimethyl-3H-indolium (CAS 42846-17-3) is a chemical compound with molecular formula C13H18N+ and molecular weight 188.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-2,3,3-trimethylindol-1-ium
Also Known As: 1-ethyl-2,3,3-trimethyl-3H-indolium, C13H18N+, 1-ethyl-2,3,3-trimethylindol-1-ium, 1-ethyl-2,3,3-trimethyl-indol-1-ium, 3H-Indolium, 1-ethyl-2,3,3-trimethyl-
| Molecular Formula | C13H18N+ |
|---|---|
| Molecular Weight | 188.14 g/mol |
| LogP | 3.1026 |
| Topological Polar Surface Area | 3.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.14392 |
| Heavy Atoms | 14 |
| Complexity | 399.4515 |
Chemical Identifiers
| CAS Number | 42846-17-3 |
|---|---|
| SMILES | CC[N+]1=C(C(C2=CC=CC=C21)(C)C)C |
Product Overview
1-ethyl-2,3,3-trimethyl-3H-indolium (CAS 42846-17-3), with molecular formula C13H18N+ and molecular weight 188.14 g/mol. IUPAC: 1-ethyl-2,3,3-trimethylindol-1-ium.
Chemical Property Profile of 1-ethyl-2,3,3-trimethyl-3H-indolium
Property Insights of 1-ethyl-2,3,3-trimethyl-3H-indolium
The XLogP value of 3.1026 indicates that 1-ethyl-2,3,3-trimethyl-3H-indolium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.01 Ų, 1-ethyl-2,3,3-trimethyl-3H-indolium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-ethyl-2,3,3-trimethyl-3H-indolium has 0 hydrogen bond donor(s) and 0 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 1-ethyl-2,3,3-trimethyl-3H-indolium?
The CAS number of 1-ethyl-2,3,3-trimethyl-3H-indolium is 42846-17-3.
What is the molecular formula of 1-ethyl-2,3,3-trimethyl-3H-indolium?
The molecular formula of 1-ethyl-2,3,3-trimethyl-3H-indolium is C13H18N+.
What is the molecular weight of 1-ethyl-2,3,3-trimethyl-3H-indolium?
The molecular weight of 1-ethyl-2,3,3-trimethyl-3H-indolium is 188.14 g/mol.
Where can I buy 1-ethyl-2,3,3-trimethyl-3H-indolium?
You can request a quote for 1-ethyl-2,3,3-trimethyl-3H-indolium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-ethyl-2,3,3-trimethyl-3H-indolium?
Yes, KEHONG BIO provides custom synthesis services for 1-ethyl-2,3,3-trimethyl-3H-indolium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.