1,3-Indandione, 2-methyl-2-(4-piperidino-2-butynyl)-, hydrochloride
TL;DR: 1,3-Indandione, 2-methyl-2-(4-piperidino-2-butynyl)-, hydrochloride (CAS 25135-90-4) is a chemical compound with molecular formula C19H22ClNO2 and molecular weight 331.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-(4-piperidin-1-ylbut-2-ynyl)indene-1,3-dione;hydrochloride
Also Known As: 2-Iodo-4,5-dichloroaniline, 1,3-Indandione, 2-methyl-2-(4-piperidino-2-butynyl)-, hydrochloride, 2-Methyl-2-(delta-piperidinobutynyl)indan-1,3-dione hydrochloride, 2-methyl-2-[4-(piperidin-1-yl)but-2-yn-1-yl]-1h-indene-1,3(2h)-dione hydrochloride(1:1), 2-methyl-2-(4-piperidin-1-ylbut-2-ynyl)indene-1,3-dione hydrochloride
| Molecular Formula | C19H22ClNO2 |
|---|---|
| Molecular Weight | 331.13 g/mol |
| LogP | 3.3731 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.1339 |
| Heavy Atoms | 23 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 25135-90-4 |
|---|---|
| SMILES | CC1(C(=O)C2=CC=CC=C2C1=O)CC#CCN3CCCCC3.Cl |
| InChIKey | UQORSBKAFLGAIK-UHFFFAOYSA-N |
Product Overview
1,3-Indandione, 2-methyl-2-(4-piperidino-2-butynyl)-, hydrochloride (CAS 25135-90-4), with molecular formula C19H22ClNO2 and molecular weight 331.13 g/mol. IUPAC: 2-methyl-2-(4-piperidin-1-ylbut-2-ynyl)indene-1,3-dione;hydrochloride.
Chemical Property Profile of 1,3-Indandione, 2-methyl-2-(4-piperidino-2-butynyl)-, hydrochloride
Property Insights of 1,3-Indandione, 2-methyl-2-(4-piperidino-2-butynyl)-, hydrochloride
The XLogP value of 3.3731 indicates that 1,3-Indandione, 2-methyl-2-(4-piperidino-2-butynyl)-, 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-methyl-2-(4-piperidino-2-butynyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Indandione, 2-methyl-2-(4-piperidino-2-butynyl)-, 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-methyl-2-(4-piperidino-2-butynyl)-, hydrochloride?
The CAS number of 1,3-Indandione, 2-methyl-2-(4-piperidino-2-butynyl)-, hydrochloride is 25135-90-4.
What is the molecular formula of 1,3-Indandione, 2-methyl-2-(4-piperidino-2-butynyl)-, hydrochloride?
The molecular formula of 1,3-Indandione, 2-methyl-2-(4-piperidino-2-butynyl)-, hydrochloride is C19H22ClNO2.
What is the molecular weight of 1,3-Indandione, 2-methyl-2-(4-piperidino-2-butynyl)-, hydrochloride?
The molecular weight of 1,3-Indandione, 2-methyl-2-(4-piperidino-2-butynyl)-, hydrochloride is 331.13 g/mol.
Where can I buy 1,3-Indandione, 2-methyl-2-(4-piperidino-2-butynyl)-, hydrochloride?
You can request a quote for 1,3-Indandione, 2-methyl-2-(4-piperidino-2-butynyl)-, 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-methyl-2-(4-piperidino-2-butynyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Indandione, 2-methyl-2-(4-piperidino-2-butynyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.