3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone
TL;DR: 3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone (CAS 477730-99-7) is a chemical compound with molecular formula C20H21N5OS and molecular weight 379.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea
Also Known As: 3-(4-METHOXYPHENYL)-1-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE N-ETHYLTHIOSEMICARBAZONE, N-Ethyl-2-((3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)hydrazinecarbothioamide, 3-ethyl-1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]thiourea, 646-522-8, RefChem:493213
| Molecular Formula | C20H21N5OS |
|---|---|
| Molecular Weight | 379.15 g/mol |
| LogP | 3.3658 |
| Topological Polar Surface Area | 63.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.14667 |
| Heavy Atoms | 27 |
| Complexity | 919.30493 |
Chemical Identifiers
| CAS Number | 477730-99-7 |
|---|---|
| SMILES | CCNC(=S)N/N=C/C1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3 |
Product Overview
3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone (CAS 477730-99-7), with molecular formula C20H21N5OS and molecular weight 379.15 g/mol. IUPAC: 1-ethyl-3-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea.
Chemical Property Profile of 3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone
Property Insights of 3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone
The XLogP value of 3.3658 indicates that 3-(4-Methoxyphenyl)-1-phenyl-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 3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone. Following Lipinski's Rule of Five, 3-(4-Methoxyphenyl)-1-phenyl-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 3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone?
The CAS number of 3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone is 477730-99-7.
What is the molecular formula of 3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone?
The molecular formula of 3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone is C20H21N5OS.
What is the molecular weight of 3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone?
The molecular weight of 3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone is 379.15 g/mol.
Where can I buy 3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone?
You can request a quote for 3-(4-Methoxyphenyl)-1-phenyl-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 3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.