5-Ethynyl-2-thiophenecarbaldehyde 2,4-dinitrophenyl hydrazone
TL;DR: 5-Ethynyl-2-thiophenecarbaldehyde 2,4-dinitrophenyl hydrazone (CAS 56588-21-7) 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.
N-[(5-ethynylthiophen-2-yl)methylideneamino]-2,4-dinitroaniline
Also Known As: 5-Ethynyl-2-thiophenecarbaldehyde 2,4-dinitrophenyl hydrazone
| Molecular Formula | C13H8N4O4S |
|---|---|
| Molecular Weight | 316.03 g/mol |
| LogP | 4.0 |
| 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 | 506.0 |
Chemical Identifiers
| CAS Number | 56588-21-7 |
|---|---|
| SMILES | C#CC1=CC=C(S1)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | UFIPCBQUDQHSIK-UHFFFAOYSA-N |
Product Overview
5-Ethynyl-2-thiophenecarbaldehyde 2,4-dinitrophenyl hydrazone (CAS 56588-21-7), with molecular formula C13H8N4O4S and molecular weight 316.03 g/mol. IUPAC: N-[(5-ethynylthiophen-2-yl)methylideneamino]-2,4-dinitroaniline.
Chemical Property Profile of 5-Ethynyl-2-thiophenecarbaldehyde 2,4-dinitrophenyl hydrazone
Property Insights of 5-Ethynyl-2-thiophenecarbaldehyde 2,4-dinitrophenyl hydrazone
The XLogP value of 4.0 indicates that 5-Ethynyl-2-thiophenecarbaldehyde 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 5-Ethynyl-2-thiophenecarbaldehyde 2,4-dinitrophenyl hydrazone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Ethynyl-2-thiophenecarbaldehyde 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
Frequently Asked Questions
What is the CAS number of 5-Ethynyl-2-thiophenecarbaldehyde 2,4-dinitrophenyl hydrazone?
The CAS number of 5-Ethynyl-2-thiophenecarbaldehyde 2,4-dinitrophenyl hydrazone is 56588-21-7.
What is the molecular formula of 5-Ethynyl-2-thiophenecarbaldehyde 2,4-dinitrophenyl hydrazone?
The molecular formula of 5-Ethynyl-2-thiophenecarbaldehyde 2,4-dinitrophenyl hydrazone is C13H8N4O4S.
What is the molecular weight of 5-Ethynyl-2-thiophenecarbaldehyde 2,4-dinitrophenyl hydrazone?
The molecular weight of 5-Ethynyl-2-thiophenecarbaldehyde 2,4-dinitrophenyl hydrazone is 316.03 g/mol.
Where can I buy 5-Ethynyl-2-thiophenecarbaldehyde 2,4-dinitrophenyl hydrazone?
You can request a quote for 5-Ethynyl-2-thiophenecarbaldehyde 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 5-Ethynyl-2-thiophenecarbaldehyde 2,4-dinitrophenyl hydrazone?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethynyl-2-thiophenecarbaldehyde 2,4-dinitrophenyl hydrazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.