3-(2-Thienyl)propynal 2,4-dinitrophenyl hydrazone
TL;DR: 3-(2-Thienyl)propynal 2,4-dinitrophenyl hydrazone (CAS 13781-34-5) is a chemical compound with molecular formula C13H8N4O4S and molecular weight 316.0266 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dinitro-N-[(Z)-3-thiophen-2-ylprop-2-ynylideneamino]aniline
Also Known As: 3-(2-Thienyl)propynal 2,4-dinitrophenyl hydrazone, 2,4-dinitro-N-[(Z)-3-thiophen-2-ylprop-2-ynylideneamino]aniline, 2-Thiophenepropiolaldehyde, (2,4-dinitrophenyl)hydrazone
Technical Specifications
| Molecular Formula | C13H8N4O4S |
| Molecular Weight | 316.0266 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.0266 Da |
| Heavy Atoms | 22 |
| Complexity | 516.0 |
| SMILES | C1=CSC(=C1)C#C/C=N\NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HEMRIVVEGGKZHA-AUWJEWJLSA-N |
Chemical Property Profile of 3-(2-Thienyl)propynal 2,4-dinitrophenyl hydrazone
Property Insights of 3-(2-Thienyl)propynal 2,4-dinitrophenyl hydrazone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Thienyl)propynal 2,4-dinitrophenyl hydrazone. The TPSA of 144.0 Ų indicates high polarity, suggesting 3-(2-Thienyl)propynal 2,4-dinitrophenyl hydrazone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(2-Thienyl)propynal 2,4-dinitrophenyl hydrazone has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(2-Thienyl)propynal 2,4-dinitrophenyl hydrazone?
The CAS number of 3-(2-Thienyl)propynal 2,4-dinitrophenyl hydrazone is 13781-34-5.
What is the molecular formula of 3-(2-Thienyl)propynal 2,4-dinitrophenyl hydrazone?
The molecular formula of 3-(2-Thienyl)propynal 2,4-dinitrophenyl hydrazone is C13H8N4O4S.
What is the molecular weight of 3-(2-Thienyl)propynal 2,4-dinitrophenyl hydrazone?
The molecular weight of 3-(2-Thienyl)propynal 2,4-dinitrophenyl hydrazone is 316.0266 g/mol.
Where can I buy 3-(2-Thienyl)propynal 2,4-dinitrophenyl hydrazone?
You can request a quote for 3-(2-Thienyl)propynal 2,4-dinitrophenyl hydrazone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Thienyl)propynal 2,4-dinitrophenyl hydrazone?
Yes, CoreyChem provides custom synthesis services for 3-(2-Thienyl)propynal 2,4-dinitrophenyl hydrazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.