RefChem:505722
TL;DR: RefChem:505722 (CAS 54268-66-5) is a chemical compound with molecular formula C21H25ClN2 and molecular weight 340.17 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 chloride
Also Known As: 1,3,3-Trimethyl-2-(2-(4-(N,N-dimethylamino)phenyl)vinyl)indolium chloride, 2-[2-[4-(Dimethylamino)phenyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride, 3H-Indolium, 2-(2-(4-(dimethylamino)phenyl)ethenyl)-1,3,3-trimethyl-, chloride, 2-(2-(4-(Dimethylamino)phenyl)ethenyl)-1,3,3-trimethyl-3H-indolium chloride, 2-(2-(4-(Dimethylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium chloride
| Molecular Formula | C21H25ClN2 |
|---|---|
| Molecular Weight | 340.17 g/mol |
| LogP | 1.48 |
| Topological Polar Surface Area | 6.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.17062 |
| Heavy Atoms | 24 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 54268-66-5 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)C)C)C.[Cl-] |
| InChIKey | OSZUKLZZXWAXEW-UHFFFAOYSA-M |
Product Overview
RefChem:505722 (CAS 54268-66-5), with molecular formula C21H25ClN2 and molecular weight 340.17 g/mol. IUPAC: N,N-dimethyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline chloride.
Chemical Property Profile of RefChem:505722
Property Insights of RefChem:505722
The XLogP value of 1.48 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:505722. With a topological polar surface area (TPSA) of 6.3 Ų, RefChem:505722 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:505722 has 0 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 RefChem:505722?
The CAS number of RefChem:505722 is 54268-66-5.
What is the molecular formula of RefChem:505722?
The molecular formula of RefChem:505722 is C21H25ClN2.
What is the molecular weight of RefChem:505722?
The molecular weight of RefChem:505722 is 340.17 g/mol.
Where can I buy RefChem:505722?
You can request a quote for RefChem:505722 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:505722?
Yes, KEHONG BIO provides custom synthesis services for RefChem:505722 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.