1,2,3,3-tetramethyl-3H-indolium
TL;DR: 1,2,3,3-tetramethyl-3H-indolium (CAS 46149-03-5) is a chemical compound with molecular formula C12H16N+ and molecular weight 174.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,3-tetramethylindol-1-ium
Also Known As: 1,2,3,3-tetramethyl-3H-indolium, 1,2,3,3-Tetramethyl-3H-indol-1-ium, 1,2,3,3-tetramethylindol-1-ium, KST-1B5546, 1,2,3,3-tetramethyl-3-hydroindole
| Molecular Formula | C12H16N+ |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 3.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.12828 |
| Heavy Atoms | 13 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 46149-03-5 |
|---|---|
| SMILES | CC1=[N+](C2=CC=CC=C2C1(C)C)C |
| InChIKey | AKQUHUJZRFFZOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,3-tetramethyl-3H-indolium (CAS 46149-03-5), with molecular formula C12H16N+ and molecular weight 174.13 g/mol. IUPAC: 1,2,3,3-tetramethylindol-1-ium.
Chemical Property Profile of 1,2,3,3-tetramethyl-3H-indolium
Property Insights of 1,2,3,3-tetramethyl-3H-indolium
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,3-tetramethyl-3H-indolium. With a topological polar surface area (TPSA) of 3.0 Ų, 1,2,3,3-tetramethyl-3H-indolium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,3-tetramethyl-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 1,2,3,3-tetramethyl-3H-indolium?
The CAS number of 1,2,3,3-tetramethyl-3H-indolium is 46149-03-5.
What is the molecular formula of 1,2,3,3-tetramethyl-3H-indolium?
The molecular formula of 1,2,3,3-tetramethyl-3H-indolium is C12H16N+.
What is the molecular weight of 1,2,3,3-tetramethyl-3H-indolium?
The molecular weight of 1,2,3,3-tetramethyl-3H-indolium is 174.13 g/mol.
Where can I buy 1,2,3,3-tetramethyl-3H-indolium?
You can request a quote for 1,2,3,3-tetramethyl-3H-indolium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,3-tetramethyl-3H-indolium?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,3-tetramethyl-3H-indolium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.