1,1-Bis(3-chloro-4-phenylbut-2-enyl)piperidin-1-ium chloride
TL;DR: 1,1-Bis(3-chloro-4-phenylbut-2-enyl)piperidin-1-ium chloride (CAS 34624-22-1) is a chemical compound with molecular formula C25H30Cl3N and molecular weight 449.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-bis(3-chloro-4-phenylbut-2-enyl)piperidin-1-ium chloride
Also Known As: 1,1-Bis(3-chloro-4-phenyl-2-butenyl)piperidinium chloride, Piperidinium, 1,1-bis(3-chloro-4-phenyl-2-butenyl)-, chloride
| Molecular Formula | C25H30Cl3N |
|---|---|
| Molecular Weight | 449.14 g/mol |
| LogP | 3.7219 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 449.14438 |
| Heavy Atoms | 29 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 34624-22-1 |
|---|---|
| SMILES | C1CC[N+](CC1)(CC=C(CC2=CC=CC=C2)Cl)CC=C(CC3=CC=CC=C3)Cl.[Cl-] |
| InChIKey | XQTADQAGXMKMRV-UHFFFAOYSA-M |
Product Overview
1,1-Bis(3-chloro-4-phenylbut-2-enyl)piperidin-1-ium chloride (CAS 34624-22-1), with molecular formula C25H30Cl3N and molecular weight 449.14 g/mol. IUPAC: 1,1-bis(3-chloro-4-phenylbut-2-enyl)piperidin-1-ium chloride.
Chemical Property Profile of 1,1-Bis(3-chloro-4-phenylbut-2-enyl)piperidin-1-ium chloride
Property Insights of 1,1-Bis(3-chloro-4-phenylbut-2-enyl)piperidin-1-ium chloride
The XLogP value of 3.7219 indicates that 1,1-Bis(3-chloro-4-phenylbut-2-enyl)piperidin-1-ium chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1-Bis(3-chloro-4-phenylbut-2-enyl)piperidin-1-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Bis(3-chloro-4-phenylbut-2-enyl)piperidin-1-ium chloride has 0 hydrogen bond donor(s) and 1 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 1,1-Bis(3-chloro-4-phenylbut-2-enyl)piperidin-1-ium chloride?
The CAS number of 1,1-Bis(3-chloro-4-phenylbut-2-enyl)piperidin-1-ium chloride is 34624-22-1.
What is the molecular formula of 1,1-Bis(3-chloro-4-phenylbut-2-enyl)piperidin-1-ium chloride?
The molecular formula of 1,1-Bis(3-chloro-4-phenylbut-2-enyl)piperidin-1-ium chloride is C25H30Cl3N.
What is the molecular weight of 1,1-Bis(3-chloro-4-phenylbut-2-enyl)piperidin-1-ium chloride?
The molecular weight of 1,1-Bis(3-chloro-4-phenylbut-2-enyl)piperidin-1-ium chloride is 449.14 g/mol.
Where can I buy 1,1-Bis(3-chloro-4-phenylbut-2-enyl)piperidin-1-ium chloride?
You can request a quote for 1,1-Bis(3-chloro-4-phenylbut-2-enyl)piperidin-1-ium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Bis(3-chloro-4-phenylbut-2-enyl)piperidin-1-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Bis(3-chloro-4-phenylbut-2-enyl)piperidin-1-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.