6-Chloro-3-phenylpyridazin-4-yl piperidine-1-carbodithioate
TL;DR: 6-Chloro-3-phenylpyridazin-4-yl piperidine-1-carbodithioate (CAS 887572-55-6) is a chemical compound with molecular formula C16H16ClN3S2 and molecular weight 349.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-3-phenylpyridazin-4-yl) piperidine-1-carbodithioate
Also Known As: 6-chloro-3-phenylpyridazin-4-yl piperidine-1-carbodithioate, AE-406/41055858, (6-chloro-3-phenylpyridazin-4-yl) piperidine-1-carbodithioate
| Molecular Formula | C16H16ClN3S2 |
|---|---|
| Molecular Weight | 349.05 g/mol |
| LogP | 4.6599 |
| Topological Polar Surface Area | 29.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.04742 |
| Heavy Atoms | 22 |
| Complexity | 657.69543 |
Chemical Identifiers
| CAS Number | 887572-55-6 |
|---|---|
| SMILES | C1CCN(CC1)C(=S)SC2=CC(=NN=C2C3=CC=CC=C3)Cl |
Product Overview
6-Chloro-3-phenylpyridazin-4-yl piperidine-1-carbodithioate (CAS 887572-55-6), with molecular formula C16H16ClN3S2 and molecular weight 349.05 g/mol. IUPAC: (6-chloro-3-phenylpyridazin-4-yl) piperidine-1-carbodithioate.
Chemical Property Profile of 6-Chloro-3-phenylpyridazin-4-yl piperidine-1-carbodithioate
Property Insights of 6-Chloro-3-phenylpyridazin-4-yl piperidine-1-carbodithioate
The XLogP value of 4.6599 indicates that 6-Chloro-3-phenylpyridazin-4-yl piperidine-1-carbodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.02 Ų, 6-Chloro-3-phenylpyridazin-4-yl piperidine-1-carbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-3-phenylpyridazin-4-yl piperidine-1-carbodithioate has 0 hydrogen bond donor(s) and 4 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 6-Chloro-3-phenylpyridazin-4-yl piperidine-1-carbodithioate?
The CAS number of 6-Chloro-3-phenylpyridazin-4-yl piperidine-1-carbodithioate is 887572-55-6.
What is the molecular formula of 6-Chloro-3-phenylpyridazin-4-yl piperidine-1-carbodithioate?
The molecular formula of 6-Chloro-3-phenylpyridazin-4-yl piperidine-1-carbodithioate is C16H16ClN3S2.
What is the molecular weight of 6-Chloro-3-phenylpyridazin-4-yl piperidine-1-carbodithioate?
The molecular weight of 6-Chloro-3-phenylpyridazin-4-yl piperidine-1-carbodithioate is 349.05 g/mol.
Where can I buy 6-Chloro-3-phenylpyridazin-4-yl piperidine-1-carbodithioate?
You can request a quote for 6-Chloro-3-phenylpyridazin-4-yl piperidine-1-carbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-3-phenylpyridazin-4-yl piperidine-1-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-3-phenylpyridazin-4-yl piperidine-1-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.