3-Cyano-3,3-diphenylpropyl 4-methylpiperazine-1-carbodithioate hydrochloride
TL;DR: 3-Cyano-3,3-diphenylpropyl 4-methylpiperazine-1-carbodithioate hydrochloride (CAS 496958-21-5) is a chemical compound with molecular formula C22H26ClN3S2 and molecular weight 431.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-cyano-3,3-diphenylpropyl) 4-methylpiperazine-1-carbodithioate;hydrochloride
Also Known As: TM208, 3-Cyano-3,3-diphenylpropyl 4-methylpiperazine-1-carbodithioate hydrochloride, 4-(4-methylpiperazine-1-carbothioyl)sulfanyl-2,2-diphenyl-butanenitrile Hydrochloride, 4-methylpiperazine-1-carbodithioic acid 3-cyano-3,3-diphenylpropyl ester hydrochloride
| Molecular Formula | C22H26ClN3S2 |
|---|---|
| Molecular Weight | 431.13 g/mol |
| LogP | 4.57368 |
| Topological Polar Surface Area | 30.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.12567 |
| Heavy Atoms | 28 |
| Complexity | 744.9341 |
Chemical Identifiers
| CAS Number | 496958-21-5 |
|---|---|
| SMILES | CN1CCN(CC1)C(=S)SCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3.Cl |
Product Overview
3-Cyano-3,3-diphenylpropyl 4-methylpiperazine-1-carbodithioate hydrochloride (CAS 496958-21-5), with molecular formula C22H26ClN3S2 and molecular weight 431.13 g/mol. IUPAC: (3-cyano-3,3-diphenylpropyl) 4-methylpiperazine-1-carbodithioate;hydrochloride.
Chemical Property Profile of 3-Cyano-3,3-diphenylpropyl 4-methylpiperazine-1-carbodithioate hydrochloride
Property Insights of 3-Cyano-3,3-diphenylpropyl 4-methylpiperazine-1-carbodithioate hydrochloride
The XLogP value of 4.57368 indicates that 3-Cyano-3,3-diphenylpropyl 4-methylpiperazine-1-carbodithioate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.27 Ų, 3-Cyano-3,3-diphenylpropyl 4-methylpiperazine-1-carbodithioate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyano-3,3-diphenylpropyl 4-methylpiperazine-1-carbodithioate hydrochloride 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 3-Cyano-3,3-diphenylpropyl 4-methylpiperazine-1-carbodithioate hydrochloride?
The CAS number of 3-Cyano-3,3-diphenylpropyl 4-methylpiperazine-1-carbodithioate hydrochloride is 496958-21-5.
What is the molecular formula of 3-Cyano-3,3-diphenylpropyl 4-methylpiperazine-1-carbodithioate hydrochloride?
The molecular formula of 3-Cyano-3,3-diphenylpropyl 4-methylpiperazine-1-carbodithioate hydrochloride is C22H26ClN3S2.
What is the molecular weight of 3-Cyano-3,3-diphenylpropyl 4-methylpiperazine-1-carbodithioate hydrochloride?
The molecular weight of 3-Cyano-3,3-diphenylpropyl 4-methylpiperazine-1-carbodithioate hydrochloride is 431.13 g/mol.
Where can I buy 3-Cyano-3,3-diphenylpropyl 4-methylpiperazine-1-carbodithioate hydrochloride?
You can request a quote for 3-Cyano-3,3-diphenylpropyl 4-methylpiperazine-1-carbodithioate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyano-3,3-diphenylpropyl 4-methylpiperazine-1-carbodithioate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyano-3,3-diphenylpropyl 4-methylpiperazine-1-carbodithioate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.