(Z)-3-((Z)-Benzylidene)-6-((5-((2-(dimethylamino)ethyl)thio)thiophen-2-yl)methylene)piperazine-2,5-dione hydrochloride
TL;DR: (Z)-3-((Z)-Benzylidene)-6-((5-((2-(dimethylamino)ethyl)thio)thiophen-2-yl)methylene)piperazine-2,5-dione hydrochloride (CAS 174766-49-5) is a chemical compound with molecular formula C20H22ClN3O2S2 and molecular weight 435.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z,6Z)-3-benzylidene-6-[[5-[2-(dimethylamino)ethylsulfanyl]thiophen-2-yl]methylidene]piperazine-2,5-dione;hydrochloride
Also Known As: (Z)-3-((Z)-Benzylidene)-6-((5-((2-(dimethylamino)ethyl)thio)thiophen-2-yl)methylene)piperazine-2,5-dione hydrochloride
| Molecular Formula | C20H22ClN3O2S2 |
|---|---|
| Molecular Weight | 435.08 g/mol |
| LogP | 1.8578 |
| Topological Polar Surface Area | 68.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.0842 |
| Heavy Atoms | 28 |
| Complexity | 1134.4929 |
Chemical Identifiers
| CAS Number | 174766-49-5 |
|---|---|
| SMILES | CN(C)CCSC1=CC=C(S1)/C=C\2/C(=O)N/C(=C\C3=CC=CC=C3)/C(=O)N2.Cl |
Product Overview
(Z)-3-((Z)-Benzylidene)-6-((5-((2-(dimethylamino)ethyl)thio)thiophen-2-yl)methylene)piperazine-2,5-dione hydrochloride (CAS 174766-49-5), with molecular formula C20H22ClN3O2S2 and molecular weight 435.08 g/mol. IUPAC: (3Z,6Z)-3-benzylidene-6-[[5-[2-(dimethylamino)ethylsulfanyl]thiophen-2-yl]methylidene]piperazine-2,5-dione;hydrochloride.
Chemical Property Profile of (Z)-3-((Z)-Benzylidene)-6-((5-((2-(dimethylamino)ethyl)thio)thiophen-2-yl)methylene)piperazine-2,5-dione hydrochloride
Property Insights of (Z)-3-((Z)-Benzylidene)-6-((5-((2-(dimethylamino)ethyl)thio)thiophen-2-yl)methylene)piperazine-2,5-dione hydrochloride
The XLogP value of 1.8578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-((Z)-Benzylidene)-6-((5-((2-(dimethylamino)ethyl)thio)thiophen-2-yl)methylene)piperazine-2,5-dione hydrochloride. The TPSA of 68.96 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-((Z)-Benzylidene)-6-((5-((2-(dimethylamino)ethyl)thio)thiophen-2-yl)methylene)piperazine-2,5-dione hydrochloride. Following Lipinski's Rule of Five, (Z)-3-((Z)-Benzylidene)-6-((5-((2-(dimethylamino)ethyl)thio)thiophen-2-yl)methylene)piperazine-2,5-dione hydrochloride has 2 hydrogen bond donor(s) and 5 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 (Z)-3-((Z)-Benzylidene)-6-((5-((2-(dimethylamino)ethyl)thio)thiophen-2-yl)methylene)piperazine-2,5-dione hydrochloride?
The CAS number of (Z)-3-((Z)-Benzylidene)-6-((5-((2-(dimethylamino)ethyl)thio)thiophen-2-yl)methylene)piperazine-2,5-dione hydrochloride is 174766-49-5.
What is the molecular formula of (Z)-3-((Z)-Benzylidene)-6-((5-((2-(dimethylamino)ethyl)thio)thiophen-2-yl)methylene)piperazine-2,5-dione hydrochloride?
The molecular formula of (Z)-3-((Z)-Benzylidene)-6-((5-((2-(dimethylamino)ethyl)thio)thiophen-2-yl)methylene)piperazine-2,5-dione hydrochloride is C20H22ClN3O2S2.
What is the molecular weight of (Z)-3-((Z)-Benzylidene)-6-((5-((2-(dimethylamino)ethyl)thio)thiophen-2-yl)methylene)piperazine-2,5-dione hydrochloride?
The molecular weight of (Z)-3-((Z)-Benzylidene)-6-((5-((2-(dimethylamino)ethyl)thio)thiophen-2-yl)methylene)piperazine-2,5-dione hydrochloride is 435.08 g/mol.
Where can I buy (Z)-3-((Z)-Benzylidene)-6-((5-((2-(dimethylamino)ethyl)thio)thiophen-2-yl)methylene)piperazine-2,5-dione hydrochloride?
You can request a quote for (Z)-3-((Z)-Benzylidene)-6-((5-((2-(dimethylamino)ethyl)thio)thiophen-2-yl)methylene)piperazine-2,5-dione hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-((Z)-Benzylidene)-6-((5-((2-(dimethylamino)ethyl)thio)thiophen-2-yl)methylene)piperazine-2,5-dione hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-((Z)-Benzylidene)-6-((5-((2-(dimethylamino)ethyl)thio)thiophen-2-yl)methylene)piperazine-2,5-dione hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.