![Nonyl 2-[1-(3-methyl-4-phenylbut-2-enyl)piperidin-1-ium-1-yl]acetate chloride structure](/static/products/4252/42528-18-7.webp)
Nonyl 2-[1-(3-methyl-4-phenylbut-2-enyl)piperidin-1-ium-1-yl]acetate chloride
TL;DR: Nonyl 2-[1-(3-methyl-4-phenylbut-2-enyl)piperidin-1-ium-1-yl]acetate chloride (CAS 42528-18-7) is a chemical compound with molecular formula C27H44ClNO2 and molecular weight 449.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
nonyl 2-[1-(3-methyl-4-phenylbut-2-enyl)piperidin-1-ium-1-yl]acetate chloride
Also Known As: 1-(3-Benzyl-2-butenyl)-1-(nonyloxycarbonylmethyl)piperidinium chloride, N-(4-Phenyl-3-methyl-2-butenyl)carbonylhydroxymethylpiperidinium chloride, Piperidinium, 1-(3-methyl-4-phenyl-2-butenyl)-1-[2-(nonyloxy)-2-oxoethyl]-, chloride
| Molecular Formula | C27H44ClNO2 |
|---|---|
| Molecular Weight | 449.31 g/mol |
| LogP | 3.4739 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 449.30606 |
| Heavy Atoms | 31 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 42528-18-7 |
|---|---|
| SMILES | CCCCCCCCCOC(=O)C[N+]1(CCCCC1)CC=C(C)CC2=CC=CC=C2.[Cl-] |
| InChIKey | UHJHVHWKXNGDFN-UHFFFAOYSA-M |
Product Overview
Nonyl 2-[1-(3-methyl-4-phenylbut-2-enyl)piperidin-1-ium-1-yl]acetate chloride (CAS 42528-18-7), with molecular formula C27H44ClNO2 and molecular weight 449.31 g/mol. IUPAC: nonyl 2-[1-(3-methyl-4-phenylbut-2-enyl)piperidin-1-ium-1-yl]acetate chloride.
Chemical Property Profile of Nonyl 2-[1-(3-methyl-4-phenylbut-2-enyl)piperidin-1-ium-1-yl]acetate chloride
Property Insights of Nonyl 2-[1-(3-methyl-4-phenylbut-2-enyl)piperidin-1-ium-1-yl]acetate chloride
The XLogP value of 3.4739 indicates that Nonyl 2-[1-(3-methyl-4-phenylbut-2-enyl)piperidin-1-ium-1-yl]acetate chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Nonyl 2-[1-(3-methyl-4-phenylbut-2-enyl)piperidin-1-ium-1-yl]acetate chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nonyl 2-[1-(3-methyl-4-phenylbut-2-enyl)piperidin-1-ium-1-yl]acetate chloride 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 Nonyl 2-[1-(3-methyl-4-phenylbut-2-enyl)piperidin-1-ium-1-yl]acetate chloride?
The CAS number of Nonyl 2-[1-(3-methyl-4-phenylbut-2-enyl)piperidin-1-ium-1-yl]acetate chloride is 42528-18-7.
What is the molecular formula of Nonyl 2-[1-(3-methyl-4-phenylbut-2-enyl)piperidin-1-ium-1-yl]acetate chloride?
The molecular formula of Nonyl 2-[1-(3-methyl-4-phenylbut-2-enyl)piperidin-1-ium-1-yl]acetate chloride is C27H44ClNO2.
What is the molecular weight of Nonyl 2-[1-(3-methyl-4-phenylbut-2-enyl)piperidin-1-ium-1-yl]acetate chloride?
The molecular weight of Nonyl 2-[1-(3-methyl-4-phenylbut-2-enyl)piperidin-1-ium-1-yl]acetate chloride is 449.31 g/mol.
Where can I buy Nonyl 2-[1-(3-methyl-4-phenylbut-2-enyl)piperidin-1-ium-1-yl]acetate chloride?
You can request a quote for Nonyl 2-[1-(3-methyl-4-phenylbut-2-enyl)piperidin-1-ium-1-yl]acetate chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nonyl 2-[1-(3-methyl-4-phenylbut-2-enyl)piperidin-1-ium-1-yl]acetate chloride?
Yes, KEHONG BIO provides custom synthesis services for Nonyl 2-[1-(3-methyl-4-phenylbut-2-enyl)piperidin-1-ium-1-yl]acetate chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.