1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde N-phenylthiosemicarbazone
TL;DR: 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde N-phenylthiosemicarbazone (CAS 1081823-98-4) is a chemical compound with molecular formula C19H19N5OS and molecular weight 365.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]-3-phenylthiourea
Also Known As: 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde N-phenylthiosemicarbazone, AH-034/11364491, 1-[(E)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]-3-phenylthiourea, 1-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]-3-phenyl-thiourea
| Molecular Formula | C19H19N5OS |
|---|---|
| Molecular Weight | 365.13 g/mol |
| LogP | 2.80492 |
| Topological Polar Surface Area | 63.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.13104 |
| Heavy Atoms | 26 |
| Complexity | 990.019 |
Chemical Identifiers
| CAS Number | 1081823-98-4 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)/C=N/NC(=S)NC3=CC=CC=C3 |
Product Overview
1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde N-phenylthiosemicarbazone (CAS 1081823-98-4), with molecular formula C19H19N5OS and molecular weight 365.13 g/mol. IUPAC: 1-[(E)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]-3-phenylthiourea.
Chemical Property Profile of 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde N-phenylthiosemicarbazone
Property Insights of 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde N-phenylthiosemicarbazone
The XLogP value of 2.80492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde N-phenylthiosemicarbazone. The TPSA of 63.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde N-phenylthiosemicarbazone. Following Lipinski's Rule of Five, 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde N-phenylthiosemicarbazone has 2 hydrogen bond donor(s) and 3 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 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde N-phenylthiosemicarbazone?
The CAS number of 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde N-phenylthiosemicarbazone is 1081823-98-4.
What is the molecular formula of 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde N-phenylthiosemicarbazone?
The molecular formula of 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde N-phenylthiosemicarbazone is C19H19N5OS.
What is the molecular weight of 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde N-phenylthiosemicarbazone?
The molecular weight of 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde N-phenylthiosemicarbazone is 365.13 g/mol.
Where can I buy 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde N-phenylthiosemicarbazone?
You can request a quote for 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde N-phenylthiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde N-phenylthiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde N-phenylthiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.