RefChem:95780
TL;DR: RefChem:95780 (CAS 52204-20-3) is a chemical compound with molecular formula C28H28ClN3 and molecular weight 441.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)ethenyl]-1,3,3-trimethylindol-1-ium chloride
Also Known As: 3H-Indolium, 2-(2-(4,5-dihydro-3,5-diphenyl-1H-pyrazol-1-yl)ethenyl)-1,3,3-trimethyl-, chloride, 3H-Indolium, 2-(2-(4,5-dihydro-3,5-diphenyl-1H-pyrazol-1-yl)ethenyl)-1,3,3-trimethyl-, chloride (1:1), 2-[(E)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)ethenyl]-1,3,3-trimethylindol-1-ium chloride, 2-[(E)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)ethenyl]-1,3,3-trimethylindol-1-ium,chloride, 3H-Indolium, 2-[2-(4,5-dihydro-3,5-diphenyl-1H-pyrazol-1-yl)ethenyl]-1,3,3-trimethyl-, chloride
| Molecular Formula | C28H28ClN3 |
|---|---|
| Molecular Weight | 441.20 g/mol |
| LogP | 3.0616 |
| Topological Polar Surface Area | 18.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.19717 |
| Heavy Atoms | 32 |
| Complexity | 1193.6167 |
Chemical Identifiers
| CAS Number | 52204-20-3 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2[N+](=C1/C=C/N3C(CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C)C.[Cl-] |
Product Overview
RefChem:95780 (CAS 52204-20-3), with molecular formula C28H28ClN3 and molecular weight 441.20 g/mol. IUPAC: 2-[(E)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)ethenyl]-1,3,3-trimethylindol-1-ium chloride.
Chemical Property Profile of RefChem:95780
Property Insights of RefChem:95780
The XLogP value of 3.0616 indicates that RefChem:95780 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.61 Ų, RefChem:95780 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:95780 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:95780?
The CAS number of RefChem:95780 is 52204-20-3.
What is the molecular formula of RefChem:95780?
The molecular formula of RefChem:95780 is C28H28ClN3.
What is the molecular weight of RefChem:95780?
The molecular weight of RefChem:95780 is 441.20 g/mol.
Where can I buy RefChem:95780?
You can request a quote for RefChem:95780 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:95780?
Yes, KEHONG BIO provides custom synthesis services for RefChem:95780 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.