Ethyl 3,4-dioxobutyrate-di-(4,4-dimethylthiosemicarbazone)
TL;DR: Ethyl 3,4-dioxobutyrate-di-(4,4-dimethylthiosemicarbazone) (CAS 140197-70-2) is a chemical compound with molecular formula C12H22N6O2S2 and molecular weight 346.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (3Z,4E)-3,4-bis(dimethylcarbamothioylhydrazinylidene)butanoate
Also Known As: Cu-DM-Et, DM-Et, Zn-DM-Et, Ethyl 3,4-dioxobutyrate-di-(4,4-dimethylthiosemicarbazone), ethyl (3Z,4E)-3,4-bis(dimethylcarbamothioylhydrazinylidene)butanoate
| Molecular Formula | C12H22N6O2S2 |
|---|---|
| Molecular Weight | 346.12 g/mol |
| LogP | 0.1536 |
| Topological Polar Surface Area | 81.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.12457 |
| Heavy Atoms | 22 |
| Complexity | 462.53284 |
Chemical Identifiers
| CAS Number | 140197-70-2 |
|---|---|
| SMILES | CCOC(=O)C/C(=N/NC(=S)N(C)C)/C=N/NC(=S)N(C)C |
Product Overview
Ethyl 3,4-dioxobutyrate-di-(4,4-dimethylthiosemicarbazone) (CAS 140197-70-2), with molecular formula C12H22N6O2S2 and molecular weight 346.12 g/mol. IUPAC: ethyl (3Z,4E)-3,4-bis(dimethylcarbamothioylhydrazinylidene)butanoate.
Chemical Property Profile of Ethyl 3,4-dioxobutyrate-di-(4,4-dimethylthiosemicarbazone)
Property Insights of Ethyl 3,4-dioxobutyrate-di-(4,4-dimethylthiosemicarbazone)
The XLogP value of 0.1536 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,4-dioxobutyrate-di-(4,4-dimethylthiosemicarbazone). The TPSA of 81.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3,4-dioxobutyrate-di-(4,4-dimethylthiosemicarbazone). Following Lipinski's Rule of Five, Ethyl 3,4-dioxobutyrate-di-(4,4-dimethylthiosemicarbazone) has 2 hydrogen bond donor(s) and 6 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 Ethyl 3,4-dioxobutyrate-di-(4,4-dimethylthiosemicarbazone)?
The CAS number of Ethyl 3,4-dioxobutyrate-di-(4,4-dimethylthiosemicarbazone) is 140197-70-2.
What is the molecular formula of Ethyl 3,4-dioxobutyrate-di-(4,4-dimethylthiosemicarbazone)?
The molecular formula of Ethyl 3,4-dioxobutyrate-di-(4,4-dimethylthiosemicarbazone) is C12H22N6O2S2.
What is the molecular weight of Ethyl 3,4-dioxobutyrate-di-(4,4-dimethylthiosemicarbazone)?
The molecular weight of Ethyl 3,4-dioxobutyrate-di-(4,4-dimethylthiosemicarbazone) is 346.12 g/mol.
Where can I buy Ethyl 3,4-dioxobutyrate-di-(4,4-dimethylthiosemicarbazone)?
You can request a quote for Ethyl 3,4-dioxobutyrate-di-(4,4-dimethylthiosemicarbazone) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,4-dioxobutyrate-di-(4,4-dimethylthiosemicarbazone)?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,4-dioxobutyrate-di-(4,4-dimethylthiosemicarbazone) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.