3H-Indolium, 1-ethyl-2,3,3,5-tetramethyl-, iodide (1:1)
TL;DR: 3H-Indolium, 1-ethyl-2,3,3,5-tetramethyl-, iodide (1:1) (CAS 68391-57-1) is a chemical compound with molecular formula C14H20IN and molecular weight 329.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-2,3,3,5-tetramethylindol-1-ium iodide
Also Known As: 3H-Indolium, 1-ethyl-2,3,3,5-tetramethyl-, iodide, 1-ethyl-2,3,3,5-tetramethylindol-1-ium;iodide, 1-ethyl-2,3,3,5-tetramethyl-3H-indolium, 1-ethyl-2,3,3,5-tetramethyl-3h-indolium iodide, 3H-Indolium, 1-ethyl-2,3,3,5-tetramethyl-, iodide (1:1)
| Molecular Formula | C14H20IN |
|---|---|
| Molecular Weight | 329.06 g/mol |
| LogP | 0.42 |
| Topological Polar Surface Area | 3.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 329.06406 |
| Heavy Atoms | 16 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 68391-57-1 |
|---|---|
| SMILES | CC[N+]1=C(C(C2=C1C=CC(=C2)C)(C)C)C.[I-] |
| InChIKey | CRVFWGHOBUHZAW-UHFFFAOYSA-M |
Product Overview
3H-Indolium, 1-ethyl-2,3,3,5-tetramethyl-, iodide (1:1) (CAS 68391-57-1), with molecular formula C14H20IN and molecular weight 329.06 g/mol. IUPAC: 1-ethyl-2,3,3,5-tetramethylindol-1-ium iodide.
Chemical Property Profile of 3H-Indolium, 1-ethyl-2,3,3,5-tetramethyl-, iodide (1:1)
Property Insights of 3H-Indolium, 1-ethyl-2,3,3,5-tetramethyl-, iodide (1:1)
The XLogP value of 0.42 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Indolium, 1-ethyl-2,3,3,5-tetramethyl-, iodide (1:1). With a topological polar surface area (TPSA) of 3.0 Ų, 3H-Indolium, 1-ethyl-2,3,3,5-tetramethyl-, iodide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Indolium, 1-ethyl-2,3,3,5-tetramethyl-, iodide (1:1) has 0 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-ethyl-2,3,3,5-tetramethyl-, iodide (1:1)?
The CAS number of 3H-Indolium, 1-ethyl-2,3,3,5-tetramethyl-, iodide (1:1) is 68391-57-1.
What is the molecular formula of 3H-Indolium, 1-ethyl-2,3,3,5-tetramethyl-, iodide (1:1)?
The molecular formula of 3H-Indolium, 1-ethyl-2,3,3,5-tetramethyl-, iodide (1:1) is C14H20IN.
What is the molecular weight of 3H-Indolium, 1-ethyl-2,3,3,5-tetramethyl-, iodide (1:1)?
The molecular weight of 3H-Indolium, 1-ethyl-2,3,3,5-tetramethyl-, iodide (1:1) is 329.06 g/mol.
Where can I buy 3H-Indolium, 1-ethyl-2,3,3,5-tetramethyl-, iodide (1:1)?
You can request a quote for 3H-Indolium, 1-ethyl-2,3,3,5-tetramethyl-, iodide (1:1) 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-ethyl-2,3,3,5-tetramethyl-, iodide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 3H-Indolium, 1-ethyl-2,3,3,5-tetramethyl-, iodide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.