4-piperonylpiperidine hydrochloride
TL;DR: 4-piperonylpiperidine hydrochloride (CAS 67848-81-1) is a chemical compound with molecular formula C18H22N4O6S2 and molecular weight 454.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylcarbamoylsulfanyl] N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]carbamothioate
Also Known As: 4-piperonylpiperidine hydrochloride, Disulfide, bis((((3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl)methyl)amino)thioxomethyl), Disulfure de bis-N(methyl-2 hydroxy-3 hydroxymethyl-5 pyridyl-4)methyl thiocarbamoyle, Bis-N-((2-methyl-3-hydroxy-5-hydroxymethyl-4-pyridyl)methyl)thiocarbamoyl disulphide, S-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylcarbamoylsulfanyl] N-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl]carbamothioate
| Molecular Formula | C18H22N4O6S2 |
|---|---|
| Molecular Weight | 454.10 g/mol |
| LogP | 1.99004 |
| Topological Polar Surface Area | 164.9 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.09808 |
| Heavy Atoms | 30 |
| Complexity | 865.878 |
Chemical Identifiers
| CAS Number | 67848-81-1 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)CNC(=O)SSC(=O)NCC2=C(C(=NC=C2CO)C)O)CO |
Product Overview
4-piperonylpiperidine hydrochloride (CAS 67848-81-1), with molecular formula C18H22N4O6S2 and molecular weight 454.10 g/mol. IUPAC: S-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylcarbamoylsulfanyl] N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]carbamothioate.
Chemical Property Profile of 4-piperonylpiperidine hydrochloride
Property Insights of 4-piperonylpiperidine hydrochloride
The XLogP value of 1.99004 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-piperonylpiperidine hydrochloride. The TPSA of 164.9 Ų indicates high polarity, suggesting 4-piperonylpiperidine hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-piperonylpiperidine hydrochloride has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-piperonylpiperidine hydrochloride?
The CAS number of 4-piperonylpiperidine hydrochloride is 67848-81-1.
What is the molecular formula of 4-piperonylpiperidine hydrochloride?
The molecular formula of 4-piperonylpiperidine hydrochloride is C18H22N4O6S2.
What is the molecular weight of 4-piperonylpiperidine hydrochloride?
The molecular weight of 4-piperonylpiperidine hydrochloride is 454.10 g/mol.
Where can I buy 4-piperonylpiperidine hydrochloride?
You can request a quote for 4-piperonylpiperidine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-piperonylpiperidine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-piperonylpiperidine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.