3-Ethoxy-2-oxobutylaldehyde bis(N'-dimethylthiosemicarbazonate)
TL;DR: 3-Ethoxy-2-oxobutylaldehyde bis(N'-dimethylthiosemicarbazonate) (CAS 19976-18-2) is a chemical compound with molecular formula C12H22CuN6OS2 and molecular weight 393.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper N'-[[(1E)-1-[(Z)-[dimethylamino(sulfido)methylidene]hydrazinylidene]-3-ethoxybutan-2-ylidene]amino]-N,N-dimethylcarbamimidothioate
Also Known As: Histidylproline dioxopiperazine, Butyraldehyde, 3-ethoxy-2-oxo-, bis(4,4-dimethyl-2-thiosemicarbazone), copper (II) complex, 3-Ethoxy-2-oxobutylaldehyde bis(N'-dimethylthiosemicarbazonate), 3-Ethoxy-2-oxobutyraldehyde bis(N(sup 4)-dimethylthiosemicarbazonato) copper(II) complex, ((2,2'-((1-Ethoxyethyl)-1,2-ethanediylidene)bis(N,N-dimethylhydrazinecarbothioamidato))(1-)-N2,N2',S,S')copper
| Molecular Formula | C12H22CuN6OS2 |
|---|---|
| Molecular Weight | 393.06 g/mol |
| LogP | 0.6797 |
| Topological Polar Surface Area | 65.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.05923 |
| Heavy Atoms | 22 |
| Complexity | 437.33243 |
Chemical Identifiers
| CAS Number | 19976-18-2 |
|---|---|
| SMILES | CCOC(C)C(=N/N=C(/N(C)C)\[S-])/C=N/N=C(/N(C)C)\[S-].[Cu+2] |
Product Overview
3-Ethoxy-2-oxobutylaldehyde bis(N'-dimethylthiosemicarbazonate) (CAS 19976-18-2), with molecular formula C12H22CuN6OS2 and molecular weight 393.06 g/mol. IUPAC: copper N'-[[(1E)-1-[(Z)-[dimethylamino(sulfido)methylidene]hydrazinylidene]-3-ethoxybutan-2-ylidene]amino]-N,N-dimethylcarbamimidothioate.
Chemical Property Profile of 3-Ethoxy-2-oxobutylaldehyde bis(N'-dimethylthiosemicarbazonate)
Property Insights of 3-Ethoxy-2-oxobutylaldehyde bis(N'-dimethylthiosemicarbazonate)
The XLogP value of 0.6797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethoxy-2-oxobutylaldehyde bis(N'-dimethylthiosemicarbazonate). The TPSA of 65.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethoxy-2-oxobutylaldehyde bis(N'-dimethylthiosemicarbazonate). Following Lipinski's Rule of Five, 3-Ethoxy-2-oxobutylaldehyde bis(N'-dimethylthiosemicarbazonate) has 0 hydrogen bond donor(s) and 7 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-Ethoxy-2-oxobutylaldehyde bis(N'-dimethylthiosemicarbazonate)?
The CAS number of 3-Ethoxy-2-oxobutylaldehyde bis(N'-dimethylthiosemicarbazonate) is 19976-18-2.
What is the molecular formula of 3-Ethoxy-2-oxobutylaldehyde bis(N'-dimethylthiosemicarbazonate)?
The molecular formula of 3-Ethoxy-2-oxobutylaldehyde bis(N'-dimethylthiosemicarbazonate) is C12H22CuN6OS2.
What is the molecular weight of 3-Ethoxy-2-oxobutylaldehyde bis(N'-dimethylthiosemicarbazonate)?
The molecular weight of 3-Ethoxy-2-oxobutylaldehyde bis(N'-dimethylthiosemicarbazonate) is 393.06 g/mol.
Where can I buy 3-Ethoxy-2-oxobutylaldehyde bis(N'-dimethylthiosemicarbazonate)?
You can request a quote for 3-Ethoxy-2-oxobutylaldehyde bis(N'-dimethylthiosemicarbazonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethoxy-2-oxobutylaldehyde bis(N'-dimethylthiosemicarbazonate)?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxy-2-oxobutylaldehyde bis(N'-dimethylthiosemicarbazonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.