2-(4-Methylpiperidin-1-yl)-1,4-diphenylbutane-1,4-dione
TL;DR: 2-(4-Methylpiperidin-1-yl)-1,4-diphenylbutane-1,4-dione (CAS 58727-02-9) is a chemical compound with molecular formula C22H25NO2 and molecular weight 335.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylpiperidin-1-yl)-1,4-diphenylbutane-1,4-dione
Also Known As: 2-(4-methylpiperidin-1-yl)-1,4-diphenylbutane-1,4-dione, 2-(4-METHYLPIPERIDINO)-1,4-BUTANEDIONE, 2-(4-METHYLPIPERIDINO)-1,4-DIPHENYL-1,4-BUTANEDIONE
| Molecular Formula | C22H25NO2 |
|---|---|
| Molecular Weight | 335.19 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.18854 |
| Heavy Atoms | 25 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 58727-02-9 |
|---|---|
| SMILES | CC1CCN(CC1)C(CC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3 |
| InChIKey | NPQYEFLERKBEHZ-UHFFFAOYSA-N |
Product Overview
2-(4-Methylpiperidin-1-yl)-1,4-diphenylbutane-1,4-dione (CAS 58727-02-9), with molecular formula C22H25NO2 and molecular weight 335.19 g/mol. IUPAC: 2-(4-methylpiperidin-1-yl)-1,4-diphenylbutane-1,4-dione.
Chemical Property Profile of 2-(4-Methylpiperidin-1-yl)-1,4-diphenylbutane-1,4-dione
Property Insights of 2-(4-Methylpiperidin-1-yl)-1,4-diphenylbutane-1,4-dione
The XLogP value of 4.3 indicates that 2-(4-Methylpiperidin-1-yl)-1,4-diphenylbutane-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, 2-(4-Methylpiperidin-1-yl)-1,4-diphenylbutane-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylpiperidin-1-yl)-1,4-diphenylbutane-1,4-dione 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 2-(4-Methylpiperidin-1-yl)-1,4-diphenylbutane-1,4-dione?
The CAS number of 2-(4-Methylpiperidin-1-yl)-1,4-diphenylbutane-1,4-dione is 58727-02-9.
What is the molecular formula of 2-(4-Methylpiperidin-1-yl)-1,4-diphenylbutane-1,4-dione?
The molecular formula of 2-(4-Methylpiperidin-1-yl)-1,4-diphenylbutane-1,4-dione is C22H25NO2.
What is the molecular weight of 2-(4-Methylpiperidin-1-yl)-1,4-diphenylbutane-1,4-dione?
The molecular weight of 2-(4-Methylpiperidin-1-yl)-1,4-diphenylbutane-1,4-dione is 335.19 g/mol.
Where can I buy 2-(4-Methylpiperidin-1-yl)-1,4-diphenylbutane-1,4-dione?
You can request a quote for 2-(4-Methylpiperidin-1-yl)-1,4-diphenylbutane-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylpiperidin-1-yl)-1,4-diphenylbutane-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylpiperidin-1-yl)-1,4-diphenylbutane-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.