![1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium acetate structure](/static/products/7208/72089-18-0.webp)
1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium acetate
TL;DR: 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium acetate (CAS 72089-18-0) is a chemical compound with molecular formula C24H26N2O2 and molecular weight 374.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium acetate
Also Known As: 1,3,3-Trimethyl-2-(2-(2-methyl-1H-indol-3-yl)ethenyl)-3H-indolium acetate, 1,3,3-TRIMETHYL-2-[2-(2-METHYL-1H-INDOL-3-YL)VINYL]-3H-INDOLIUM ACETATE, 3H-Indolium, 1,3,3-trimethyl-2-(2-(2-methyl-1H-indol-3-yl)ethenyl)-, acetate, 3H-Indolium, 1,3,3-trimethyl-2-(2-(2-methyl-1H-indol-3-yl)ethenyl)-, acetate (1:1), 3H-Indolium, 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]-, acetate
| Molecular Formula | C24H26N2O2 |
|---|---|
| Molecular Weight | 374.20 g/mol |
| LogP | 3.95192 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 374.19943 |
| Heavy Atoms | 28 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 72089-18-0 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C=CC3=[N+](C4=CC=CC=C4C3(C)C)C.CC(=O)[O-] |
| InChIKey | RUIBAOGHKUTPQO-UHFFFAOYSA-N |
Product Overview
1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium acetate (CAS 72089-18-0), with molecular formula C24H26N2O2 and molecular weight 374.20 g/mol. IUPAC: 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium acetate.
Chemical Property Profile of 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium acetate
Property Insights of 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium acetate
The XLogP value of 3.95192 indicates that 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium acetate 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 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium acetate?
The CAS number of 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium acetate is 72089-18-0.
What is the molecular formula of 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium acetate?
The molecular formula of 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium acetate is C24H26N2O2.
What is the molecular weight of 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium acetate?
The molecular weight of 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium acetate is 374.20 g/mol.
Where can I buy 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium acetate?
You can request a quote for 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium acetate?
Yes, KEHONG BIO provides custom synthesis services for 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.