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Ethyl 5-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]thiadiazole-4-carboxylate
TL;DR: Ethyl 5-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]thiadiazole-4-carboxylate (CAS 4609-53-4) is a chemical compound with molecular formula C12H10N6O6S and molecular weight 366.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]thiadiazole-4-carboxylate
Also Known As: NCIOpen2_008675, ethyl 5-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]thia, ethyl 5-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]thiadiazole-4-carboxylate, ethyl 5-{[2-(2,4-dinitrophenyl)hydrazinylidene]methyl}-1,2,3-thiadiazole-4-carboxylate
| Molecular Formula | C12H10N6O6S |
|---|---|
| Molecular Weight | 366.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.03824 |
| Heavy Atoms | 25 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 4609-53-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SN=N1)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | PUZXLZRUIOOKEC-UHFFFAOYSA-N |
Product Overview
Ethyl 5-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]thiadiazole-4-carboxylate (CAS 4609-53-4), with molecular formula C12H10N6O6S and molecular weight 366.04 g/mol. IUPAC: ethyl 5-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]thiadiazole-4-carboxylate.
Chemical Property Profile of Ethyl 5-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]thiadiazole-4-carboxylate
Property Insights of Ethyl 5-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]thiadiazole-4-carboxylate
The XLogP value of 3.2 indicates that Ethyl 5-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]thiadiazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 196.0 Ų indicates high polarity, suggesting Ethyl 5-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]thiadiazole-4-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 5-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]thiadiazole-4-carboxylate has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 5-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]thiadiazole-4-carboxylate?
The CAS number of Ethyl 5-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]thiadiazole-4-carboxylate is 4609-53-4.
What is the molecular formula of Ethyl 5-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]thiadiazole-4-carboxylate?
The molecular formula of Ethyl 5-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]thiadiazole-4-carboxylate is C12H10N6O6S.
What is the molecular weight of Ethyl 5-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]thiadiazole-4-carboxylate?
The molecular weight of Ethyl 5-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]thiadiazole-4-carboxylate is 366.04 g/mol.
Where can I buy Ethyl 5-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]thiadiazole-4-carboxylate?
You can request a quote for Ethyl 5-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]thiadiazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]thiadiazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]thiadiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.