1-(2-Thienyl)-2-propyn-1-one 2,4-dinitrophenyl hydrazone
TL;DR: 1-(2-Thienyl)-2-propyn-1-one 2,4-dinitrophenyl hydrazone (CAS 56588-20-6) is a chemical compound with molecular formula C13H8N4O4S and molecular weight 316.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dinitro-N-(1-thiophen-2-ylprop-2-ynylideneamino)aniline
Also Known As: 1-2-propyn-1-one2,4-dinitrophenylhydrazone, 1-(2-Thienyl)-2-propyn-1-one 2,4-dinitrophenyl hydrazone
| Molecular Formula | C13H8N4O4S |
|---|---|
| Molecular Weight | 316.03 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.0266 |
| Heavy Atoms | 22 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 56588-20-6 |
|---|---|
| SMILES | C#CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2=CC=CS2 |
| InChIKey | RVKOTONVDSZJBJ-UHFFFAOYSA-N |
Product Overview
1-(2-Thienyl)-2-propyn-1-one 2,4-dinitrophenyl hydrazone (CAS 56588-20-6), with molecular formula C13H8N4O4S and molecular weight 316.03 g/mol. IUPAC: 2,4-dinitro-N-(1-thiophen-2-ylprop-2-ynylideneamino)aniline.
Chemical Property Profile of 1-(2-Thienyl)-2-propyn-1-one 2,4-dinitrophenyl hydrazone
Property Insights of 1-(2-Thienyl)-2-propyn-1-one 2,4-dinitrophenyl hydrazone
The XLogP value of 5.2 indicates that 1-(2-Thienyl)-2-propyn-1-one 2,4-dinitrophenyl hydrazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting 1-(2-Thienyl)-2-propyn-1-one 2,4-dinitrophenyl hydrazone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(2-Thienyl)-2-propyn-1-one 2,4-dinitrophenyl hydrazone has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-Thienyl)-2-propyn-1-one 2,4-dinitrophenyl hydrazone?
The CAS number of 1-(2-Thienyl)-2-propyn-1-one 2,4-dinitrophenyl hydrazone is 56588-20-6.
What is the molecular formula of 1-(2-Thienyl)-2-propyn-1-one 2,4-dinitrophenyl hydrazone?
The molecular formula of 1-(2-Thienyl)-2-propyn-1-one 2,4-dinitrophenyl hydrazone is C13H8N4O4S.
What is the molecular weight of 1-(2-Thienyl)-2-propyn-1-one 2,4-dinitrophenyl hydrazone?
The molecular weight of 1-(2-Thienyl)-2-propyn-1-one 2,4-dinitrophenyl hydrazone is 316.03 g/mol.
Where can I buy 1-(2-Thienyl)-2-propyn-1-one 2,4-dinitrophenyl hydrazone?
You can request a quote for 1-(2-Thienyl)-2-propyn-1-one 2,4-dinitrophenyl hydrazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Thienyl)-2-propyn-1-one 2,4-dinitrophenyl hydrazone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Thienyl)-2-propyn-1-one 2,4-dinitrophenyl hydrazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.