![diethyl ({4-[(E)-phenyldiazenyl]benzene-1,3-diyl}dicarbamothioyl)biscarbamate structure](/static/products/6765/676587-88-5.webp)
diethyl ({4-[(E)-phenyldiazenyl]benzene-1,3-diyl}dicarbamothioyl)biscarbamate
TL;DR: diethyl ({4-[(E)-phenyldiazenyl]benzene-1,3-diyl}dicarbamothioyl)biscarbamate (CAS 676587-88-5) is a chemical compound with molecular formula C20H22N6O4S2 and molecular weight 474.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[[3-(ethoxycarbonylcarbamothioylamino)-4-phenyldiazenylphenyl]carbamothioyl]carbamate
Also Known As: diethyl ({4-[(E)-phenyldiazenyl]benzene-1,3-diyl}dicarbamothioyl)biscarbamate, ethyl N-[[3-(ethoxycarbonylcarbamothioylamino)-4-phenyldiazenylphenyl]carbamothioyl]carbamate, Carbamic acid, [[4-(phenylazo)-1,3-phenylene]bis(iminocarbonothioyl)]bis-, diethyl ester (9CI), ethoxy-N-{[(3-{[(ethoxycarbonylamino)thioxomethyl]amino}-4-(phenyldiazenyl)phe nyl)amino]thioxomethyl}carboxamide, ethyl N-{[5-({[(ethoxycarbonyl)amino]methanethioyl}amino)-2-[(1E)-2-phenyldiazen-1-yl]phenyl]carbamothioyl}carbamate
| Molecular Formula | C20H22N6O4S2 |
|---|---|
| Molecular Weight | 474.11 g/mol |
| LogP | 4.9878 |
| Topological Polar Surface Area | 125.44 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.1144 |
| Heavy Atoms | 32 |
| Complexity | 1000.8394 |
Chemical Identifiers
| CAS Number | 676587-88-5 |
|---|---|
| SMILES | CCOC(=O)NC(=S)NC1=CC(=C(C=C1)N=NC2=CC=CC=C2)NC(=S)NC(=O)OCC |
Product Overview
diethyl ({4-[(E)-phenyldiazenyl]benzene-1,3-diyl}dicarbamothioyl)biscarbamate (CAS 676587-88-5), with molecular formula C20H22N6O4S2 and molecular weight 474.11 g/mol. IUPAC: ethyl N-[[3-(ethoxycarbonylcarbamothioylamino)-4-phenyldiazenylphenyl]carbamothioyl]carbamate.
Chemical Property Profile of diethyl ({4-[(E)-phenyldiazenyl]benzene-1,3-diyl}dicarbamothioyl)biscarbamate
Property Insights of diethyl ({4-[(E)-phenyldiazenyl]benzene-1,3-diyl}dicarbamothioyl)biscarbamate
The XLogP value of 4.9878 indicates that diethyl ({4-[(E)-phenyldiazenyl]benzene-1,3-diyl}dicarbamothioyl)biscarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.44 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl ({4-[(E)-phenyldiazenyl]benzene-1,3-diyl}dicarbamothioyl)biscarbamate. Following Lipinski's Rule of Five, diethyl ({4-[(E)-phenyldiazenyl]benzene-1,3-diyl}dicarbamothioyl)biscarbamate has 4 hydrogen bond donor(s) and 8 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 diethyl ({4-[(E)-phenyldiazenyl]benzene-1,3-diyl}dicarbamothioyl)biscarbamate?
The CAS number of diethyl ({4-[(E)-phenyldiazenyl]benzene-1,3-diyl}dicarbamothioyl)biscarbamate is 676587-88-5.
What is the molecular formula of diethyl ({4-[(E)-phenyldiazenyl]benzene-1,3-diyl}dicarbamothioyl)biscarbamate?
The molecular formula of diethyl ({4-[(E)-phenyldiazenyl]benzene-1,3-diyl}dicarbamothioyl)biscarbamate is C20H22N6O4S2.
What is the molecular weight of diethyl ({4-[(E)-phenyldiazenyl]benzene-1,3-diyl}dicarbamothioyl)biscarbamate?
The molecular weight of diethyl ({4-[(E)-phenyldiazenyl]benzene-1,3-diyl}dicarbamothioyl)biscarbamate is 474.11 g/mol.
Where can I buy diethyl ({4-[(E)-phenyldiazenyl]benzene-1,3-diyl}dicarbamothioyl)biscarbamate?
You can request a quote for diethyl ({4-[(E)-phenyldiazenyl]benzene-1,3-diyl}dicarbamothioyl)biscarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl ({4-[(E)-phenyldiazenyl]benzene-1,3-diyl}dicarbamothioyl)biscarbamate?
Yes, KEHONG BIO provides custom synthesis services for diethyl ({4-[(E)-phenyldiazenyl]benzene-1,3-diyl}dicarbamothioyl)biscarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.