RefChem:95796
TL;DR: RefChem:95796 (CAS 64346-30-1) is a chemical compound with molecular formula C25H32N2O2 and molecular weight 392.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline acetate
Also Known As: 2-(2-(4-(Diethylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium acetate, 2-[2-[4-(Diethylamino)phenyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate, 3H-Indolium, 2-[2-[4-(diethylamino)phenyl]ethenyl]-1,3,3-trimethyl-, acetate, 2-(2-(4-(Diethylamino)phenyl)ethenyl)-1,3,3-trimethyl-3H-indolium acetate, 3H-Indolium, 2-(2-(4-(diethylamino)phenyl)ethenyl)-1,3,3-trimethyl-, acetate (1:1)
| Molecular Formula | C25H32N2O2 |
|---|---|
| Molecular Weight | 392.25 g/mol |
| LogP | 4.01 |
| Topological Polar Surface Area | 46.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.24637 |
| Heavy Atoms | 29 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 64346-30-1 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C=CC2=[N+](C3=CC=CC=C3C2(C)C)C.CC(=O)[O-] |
| InChIKey | KEUVYXFBMUFRGG-UHFFFAOYSA-M |
Product Overview
RefChem:95796 (CAS 64346-30-1), with molecular formula C25H32N2O2 and molecular weight 392.25 g/mol. IUPAC: N,N-diethyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline acetate.
Chemical Property Profile of RefChem:95796
Property Insights of RefChem:95796
The XLogP value of 4.01 indicates that RefChem:95796 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.4 Ų, RefChem:95796 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:95796 has 0 hydrogen bond donor(s) and 3 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 RefChem:95796?
The CAS number of RefChem:95796 is 64346-30-1.
What is the molecular formula of RefChem:95796?
The molecular formula of RefChem:95796 is C25H32N2O2.
What is the molecular weight of RefChem:95796?
The molecular weight of RefChem:95796 is 392.25 g/mol.
Where can I buy RefChem:95796?
You can request a quote for RefChem:95796 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:95796?
Yes, KEHONG BIO provides custom synthesis services for RefChem:95796 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.