![1-[(1E)-1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]piperidine structure](/static/products/742/74276-69-0.png)
1-[(1E)-1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]piperidine
TL;DR: 1-[(1E)-1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]piperidine (CAS 74276-69-0) is a chemical compound with molecular formula C16H17Cl3N2O2S and molecular weight 406.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1E)-1-benzylsulfanyl-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]piperidine
Also Known As: (E)-1-(1-(benzylthio)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl)piperidine, 1-[(1E)-1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]piperidine, 1-[(1E)-1-benzylsulfanyl-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]piperidine
| Molecular Formula | C16H17Cl3N2O2S |
|---|---|
| Molecular Weight | 406.01 g/mol |
| LogP | 5.737 |
| Topological Polar Surface Area | 46.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.00763 |
| Heavy Atoms | 24 |
| Complexity | 639.9824 |
Chemical Identifiers
| CAS Number | 74276-69-0 |
|---|---|
| SMILES | C1CCN(CC1)/C(=C(/C(=C(Cl)Cl)Cl)\[N+](=O)[O-])/SCC2=CC=CC=C2 |
Product Overview
1-[(1E)-1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]piperidine (CAS 74276-69-0), with molecular formula C16H17Cl3N2O2S and molecular weight 406.01 g/mol. IUPAC: 1-[(1E)-1-benzylsulfanyl-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]piperidine.
Chemical Property Profile of 1-[(1E)-1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]piperidine
Property Insights of 1-[(1E)-1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]piperidine
The XLogP value of 5.737 indicates that 1-[(1E)-1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.38 Ų, 1-[(1E)-1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]piperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(1E)-1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]piperidine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[(1E)-1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]piperidine?
The CAS number of 1-[(1E)-1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]piperidine is 74276-69-0.
What is the molecular formula of 1-[(1E)-1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]piperidine?
The molecular formula of 1-[(1E)-1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]piperidine is C16H17Cl3N2O2S.
What is the molecular weight of 1-[(1E)-1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]piperidine?
The molecular weight of 1-[(1E)-1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]piperidine is 406.01 g/mol.
Where can I buy 1-[(1E)-1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]piperidine?
You can request a quote for 1-[(1E)-1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(1E)-1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]piperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-[(1E)-1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.