RefChem:1061313
TL;DR: RefChem:1061313 (CAS 53725-55-6) is a chemical compound with molecular formula C22H33N3O and molecular weight 355.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylpiperazin-1-yl)-1-(2,2,6,6-tetramethyl-4-phenyl-3H-pyridin-1-yl)ethanone
Also Known As: 5-23-02-00279 (Beilstein Handbook Reference), Pyridine, 1,2,3,6-tetrahydro-1-((4-methyl-1-piperazinyl)acetyl)-4-phenyl-2,2,6,6-tetramethyl-, Ethanone,1-(4-methoxy-3-methyl-2-nitro-7-benzofuranyl), 2-(4-methylpiperazin-1-yl)-1-(2,2,6,6-tetramethyl-4-phenyl-3H-pyridin-1-yl)ethanone, 2-(4-Methylpiperazin-1-yl)-1-(2,2,6,6-tetramethyl-4-phenyl-3,6-dihydropyridin-1(2H)-yl)ethan-1-one
| Molecular Formula | C22H33N3O |
|---|---|
| Molecular Weight | 355.26 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.26236 |
| Heavy Atoms | 26 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 53725-55-6 |
|---|---|
| SMILES | CC1(CC(=CC(N1C(=O)CN2CCN(CC2)C)(C)C)C3=CC=CC=C3)C |
| InChIKey | GVEINSAHFGPQIN-UHFFFAOYSA-N |
Product Overview
RefChem:1061313 (CAS 53725-55-6), with molecular formula C22H33N3O and molecular weight 355.26 g/mol. IUPAC: 2-(4-methylpiperazin-1-yl)-1-(2,2,6,6-tetramethyl-4-phenyl-3H-pyridin-1-yl)ethanone.
Chemical Property Profile of RefChem:1061313
Property Insights of RefChem:1061313
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1061313. With a topological polar surface area (TPSA) of 26.8 Ų, RefChem:1061313 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061313 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 RefChem:1061313?
The CAS number of RefChem:1061313 is 53725-55-6.
What is the molecular formula of RefChem:1061313?
The molecular formula of RefChem:1061313 is C22H33N3O.
What is the molecular weight of RefChem:1061313?
The molecular weight of RefChem:1061313 is 355.26 g/mol.
Where can I buy RefChem:1061313?
You can request a quote for RefChem:1061313 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061313?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061313 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.