RefChem:373445
TL;DR: RefChem:373445 (CAS 23996-82-9) is a chemical compound with molecular formula C28H35ClN2 and molecular weight 434.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-methyl-5-(4-phenylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]-4-phenylpiperidine chloride
Also Known As: 3-(2-methyl-1H-imidazol-1-yl)propanenitrile, Piperidinium, 1-(2-methyl-5-(4-phenylpiperidino)-2,4-pentadienylidene)-4-phenyl-, chloride, hydrate, 1-[2-Methyl-5-(4-phenylpiperidin-1-yl)penta-2,4-dienylidene]-4-phenylpiperidin-1-ium chloride, Piperidinium, 1-[2-methyl-5-(4-phenylpiperidino)-2,4-pentadienylidene]-4-phenyl-, chloride, 1-((2E,4E)-2-methyl-5-(4-phenylpiperidin-1-yl)penta-2,4-dien-1-ylidene)-4-phenylpiperidin-1-ium chloride
| Molecular Formula | C28H35ClN2 |
|---|---|
| Molecular Weight | 434.25 g/mol |
| LogP | 2.99 |
| Topological Polar Surface Area | 6.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.24887 |
| Heavy Atoms | 31 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 23996-82-9 |
|---|---|
| SMILES | CC(=CC=CN1CCC(CC1)C2=CC=CC=C2)C=[N+]3CCC(CC3)C4=CC=CC=C4.[Cl-] |
| InChIKey | ZWGAOFFHPFTCFP-UHFFFAOYSA-M |
Product Overview
RefChem:373445 (CAS 23996-82-9), with molecular formula C28H35ClN2 and molecular weight 434.25 g/mol. IUPAC: 1-[4-methyl-5-(4-phenylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]-4-phenylpiperidine chloride.
Chemical Property Profile of RefChem:373445
Property Insights of RefChem:373445
The XLogP value of 2.99 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:373445. With a topological polar surface area (TPSA) of 6.3 Ų, RefChem:373445 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:373445 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:373445?
The CAS number of RefChem:373445 is 23996-82-9.
What is the molecular formula of RefChem:373445?
The molecular formula of RefChem:373445 is C28H35ClN2.
What is the molecular weight of RefChem:373445?
The molecular weight of RefChem:373445 is 434.25 g/mol.
Where can I buy RefChem:373445?
You can request a quote for RefChem:373445 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:373445?
Yes, KEHONG BIO provides custom synthesis services for RefChem:373445 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.