1,3-Indandione, 2-(4-(dimethylamino)-2-butynyl)-2-phenyl-, hydrochloride
TL;DR: 1,3-Indandione, 2-(4-(dimethylamino)-2-butynyl)-2-phenyl-, hydrochloride (CAS 25119-56-6) is a chemical compound with molecular formula C21H20ClNO2 and molecular weight 353.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(dimethylamino)but-2-ynyl]-2-phenylindene-1,3-dione;hydrochloride
Also Known As: 2-Iodo-4,5-dichloroaniline, 2-Phenyl-2-(delta-dimethylaminobutynyl)indan-1,3-dione hydrochloride, 1,3-Indandione, 2-(4-(dimethylamino)-2-butynyl)-2-phenyl-, hydrochloride, 2-[4-(dimethylamino)but-2-yn-1-yl]-2-phenyl-1h-indene-1,3(2h)-dione hydrochloride(1:1), 2-[4-(dimethylamino)but-2-ynyl]-2-phenylindene-1,3-dione hydrochloride
| Molecular Formula | C21H20ClNO2 |
|---|---|
| Molecular Weight | 353.12 g/mol |
| LogP | 3.3805 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.11826 |
| Heavy Atoms | 25 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 25119-56-6 |
|---|---|
| SMILES | CN(C)CC#CCC1(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3.Cl |
| InChIKey | PLQIYUVYXBGYGK-UHFFFAOYSA-N |
Product Overview
1,3-Indandione, 2-(4-(dimethylamino)-2-butynyl)-2-phenyl-, hydrochloride (CAS 25119-56-6), with molecular formula C21H20ClNO2 and molecular weight 353.12 g/mol. IUPAC: 2-[4-(dimethylamino)but-2-ynyl]-2-phenylindene-1,3-dione;hydrochloride.
Chemical Property Profile of 1,3-Indandione, 2-(4-(dimethylamino)-2-butynyl)-2-phenyl-, hydrochloride
Property Insights of 1,3-Indandione, 2-(4-(dimethylamino)-2-butynyl)-2-phenyl-, hydrochloride
The XLogP value of 3.3805 indicates that 1,3-Indandione, 2-(4-(dimethylamino)-2-butynyl)-2-phenyl-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, 1,3-Indandione, 2-(4-(dimethylamino)-2-butynyl)-2-phenyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Indandione, 2-(4-(dimethylamino)-2-butynyl)-2-phenyl-, hydrochloride has 1 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 1,3-Indandione, 2-(4-(dimethylamino)-2-butynyl)-2-phenyl-, hydrochloride?
The CAS number of 1,3-Indandione, 2-(4-(dimethylamino)-2-butynyl)-2-phenyl-, hydrochloride is 25119-56-6.
What is the molecular formula of 1,3-Indandione, 2-(4-(dimethylamino)-2-butynyl)-2-phenyl-, hydrochloride?
The molecular formula of 1,3-Indandione, 2-(4-(dimethylamino)-2-butynyl)-2-phenyl-, hydrochloride is C21H20ClNO2.
What is the molecular weight of 1,3-Indandione, 2-(4-(dimethylamino)-2-butynyl)-2-phenyl-, hydrochloride?
The molecular weight of 1,3-Indandione, 2-(4-(dimethylamino)-2-butynyl)-2-phenyl-, hydrochloride is 353.12 g/mol.
Where can I buy 1,3-Indandione, 2-(4-(dimethylamino)-2-butynyl)-2-phenyl-, hydrochloride?
You can request a quote for 1,3-Indandione, 2-(4-(dimethylamino)-2-butynyl)-2-phenyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Indandione, 2-(4-(dimethylamino)-2-butynyl)-2-phenyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Indandione, 2-(4-(dimethylamino)-2-butynyl)-2-phenyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.