RefChem:373456
TL;DR: RefChem:373456 (CAS 22966-89-8) is a chemical compound with molecular formula C27H33ClN2 and molecular weight 420.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-1-[5-(4-phenylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine chloride
Also Known As: 1-(5-(4-Phenylpiperidino)-2,4-pentadienylidene)-4-phenylpiperidinium chloride, Piperidinium, 1-(5-(4-phenylpiperidino)-2,4-pentadienylidene)-4-phenyl-, chloride, 4-phenyl-1-[5-(4-phenylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine chloride, 4-Phenyl-1-[5-(4-phenylpiperidin-1-yl)penta-2,4-dien-1-ylidene]piperidin-1-ium chloride, Piperidinium, 4-phenyl-1-[5-(4-phenyl-1-piperidinyl)-2,4-pentadienylidene]-, chloride
| Molecular Formula | C27H33ClN2 |
|---|---|
| Molecular Weight | 420.23 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 6.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.23322 |
| Heavy Atoms | 30 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 22966-89-8 |
|---|---|
| SMILES | C1CN(CCC1C2=CC=CC=C2)C=CC=CC=[N+]3CCC(CC3)C4=CC=CC=C4.[Cl-] |
| InChIKey | RIAFEOJNYOXQED-UHFFFAOYSA-M |
Product Overview
RefChem:373456 (CAS 22966-89-8), with molecular formula C27H33ClN2 and molecular weight 420.23 g/mol. IUPAC: 4-phenyl-1-[5-(4-phenylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine chloride.
Chemical Property Profile of RefChem:373456
Property Insights of RefChem:373456
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:373456. With a topological polar surface area (TPSA) of 6.3 Ų, RefChem:373456 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:373456 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:373456?
The CAS number of RefChem:373456 is 22966-89-8.
What is the molecular formula of RefChem:373456?
The molecular formula of RefChem:373456 is C27H33ClN2.
What is the molecular weight of RefChem:373456?
The molecular weight of RefChem:373456 is 420.23 g/mol.
Where can I buy RefChem:373456?
You can request a quote for RefChem:373456 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:373456?
Yes, KEHONG BIO provides custom synthesis services for RefChem:373456 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.