RefChem:95799
TL;DR: RefChem:95799 (CAS 71598-17-9) is a chemical compound with molecular formula C23H28N2O2 and molecular weight 364.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline acetate
Also Known As: 3H-Indolium, 2-(2-(4-(dimethylamino)phenyl)ethenyl)-1,3,3-trimethyl-, acetate, 3H-Indolium, 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3,3-trimethyl-, acetate, 2-(2-(4-(Dimethylamino)phenyl)ethenyl)-1,3,3-trimethyl-3H-indolium acetate, 2-(2-(4-(Dimethylamino)phenyl)ethenyl)-1,3,3-trimethyl-3H-indolium, acetate, 2-(2-(4-(Dimethylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium acetate
| Molecular Formula | C23H28N2O2 |
|---|---|
| Molecular Weight | 364.22 g/mol |
| LogP | 3.2282 |
| Topological Polar Surface Area | 46.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.2151 |
| Heavy Atoms | 27 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 71598-17-9 |
|---|---|
| SMILES | CC(=O)[O-].CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)C)C)C |
| InChIKey | BIMNBZJRQYMZIQ-UHFFFAOYSA-M |
Product Overview
RefChem:95799 (CAS 71598-17-9), with molecular formula C23H28N2O2 and molecular weight 364.22 g/mol. IUPAC: N,N-dimethyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline acetate.
Chemical Property Profile of RefChem:95799
Property Insights of RefChem:95799
The XLogP value of 3.2282 indicates that RefChem:95799 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:95799 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:95799 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:95799?
The CAS number of RefChem:95799 is 71598-17-9.
What is the molecular formula of RefChem:95799?
The molecular formula of RefChem:95799 is C23H28N2O2.
What is the molecular weight of RefChem:95799?
The molecular weight of RefChem:95799 is 364.22 g/mol.
Where can I buy RefChem:95799?
You can request a quote for RefChem:95799 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:95799?
Yes, KEHONG BIO provides custom synthesis services for RefChem:95799 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.