1-Phenyl-3-(4-propoxyphenyl)-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone
TL;DR: 1-Phenyl-3-(4-propoxyphenyl)-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone (CAS 477731-17-2) is a chemical compound with molecular formula C22H25N5OS and molecular weight 407.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]thiourea
Also Known As: N-Ethyl-2-((1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl)methylene)hydrazinecarbothioamide, 1-PHENYL-3-(4-PROPOXYPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE N-ETHYLTHIOSEMICARBAZONE, 3-ethyl-1-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]thiourea, 647-620-3, RefChem:435602
| Molecular Formula | C22H25N5OS |
|---|---|
| Molecular Weight | 407.18 g/mol |
| LogP | 4.146 |
| Topological Polar Surface Area | 63.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 407.17798 |
| Heavy Atoms | 29 |
| Complexity | 951.0938 |
Chemical Identifiers
| CAS Number | 477731-17-2 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=S)NCC)C3=CC=CC=C3 |
Product Overview
1-Phenyl-3-(4-propoxyphenyl)-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone (CAS 477731-17-2), with molecular formula C22H25N5OS and molecular weight 407.18 g/mol. IUPAC: 1-ethyl-3-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]thiourea.
Chemical Property Profile of 1-Phenyl-3-(4-propoxyphenyl)-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone
Property Insights of 1-Phenyl-3-(4-propoxyphenyl)-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone
The XLogP value of 4.146 indicates that 1-Phenyl-3-(4-propoxyphenyl)-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenyl-3-(4-propoxyphenyl)-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone. Following Lipinski's Rule of Five, 1-Phenyl-3-(4-propoxyphenyl)-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone has 2 hydrogen bond donor(s) and 4 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 1-Phenyl-3-(4-propoxyphenyl)-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone?
The CAS number of 1-Phenyl-3-(4-propoxyphenyl)-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone is 477731-17-2.
What is the molecular formula of 1-Phenyl-3-(4-propoxyphenyl)-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone?
The molecular formula of 1-Phenyl-3-(4-propoxyphenyl)-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone is C22H25N5OS.
What is the molecular weight of 1-Phenyl-3-(4-propoxyphenyl)-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone?
The molecular weight of 1-Phenyl-3-(4-propoxyphenyl)-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone is 407.18 g/mol.
Where can I buy 1-Phenyl-3-(4-propoxyphenyl)-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone?
You can request a quote for 1-Phenyl-3-(4-propoxyphenyl)-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-3-(4-propoxyphenyl)-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3-(4-propoxyphenyl)-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.