(E)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-((E)-3-phenylallylidene)hydrazinecarbothioamide
TL;DR: (E)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-((E)-3-phenylallylidene)hydrazinecarbothioamide (CAS 249516-40-3) is a chemical compound with molecular formula C21H21N5OS and molecular weight 391.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea
Also Known As: (E)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-((E)-3-phenylallylidene)hydrazinecarbothioamide, F0207-0666, Phosphonium,[[4-(dibutylamino)phenyl]methyl]triphenyl-,iodide, 3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-[(E)-[(2E)-3-phenylprop-2-en-1-ylidene]amino]thiourea, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(3-phenylallylidene)hydrazine-1-carbothioamide
| Molecular Formula | C21H21N5OS |
|---|---|
| Molecular Weight | 391.15 g/mol |
| LogP | 3.47002 |
| Topological Polar Surface Area | 63.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.14667 |
| Heavy Atoms | 28 |
| Complexity | 1065.4254 |
Chemical Identifiers
| CAS Number | 249516-40-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N/N=C/C=C/C3=CC=CC=C3 |
Product Overview
(E)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-((E)-3-phenylallylidene)hydrazinecarbothioamide (CAS 249516-40-3), with molecular formula C21H21N5OS and molecular weight 391.15 g/mol. IUPAC: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea.
Chemical Property Profile of (E)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-((E)-3-phenylallylidene)hydrazinecarbothioamide
Property Insights of (E)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-((E)-3-phenylallylidene)hydrazinecarbothioamide
The XLogP value of 3.47002 indicates that (E)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-((E)-3-phenylallylidene)hydrazinecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.35 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-((E)-3-phenylallylidene)hydrazinecarbothioamide. Following Lipinski's Rule of Five, (E)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-((E)-3-phenylallylidene)hydrazinecarbothioamide 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 (E)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-((E)-3-phenylallylidene)hydrazinecarbothioamide?
The CAS number of (E)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-((E)-3-phenylallylidene)hydrazinecarbothioamide is 249516-40-3.
What is the molecular formula of (E)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-((E)-3-phenylallylidene)hydrazinecarbothioamide?
The molecular formula of (E)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-((E)-3-phenylallylidene)hydrazinecarbothioamide is C21H21N5OS.
What is the molecular weight of (E)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-((E)-3-phenylallylidene)hydrazinecarbothioamide?
The molecular weight of (E)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-((E)-3-phenylallylidene)hydrazinecarbothioamide is 391.15 g/mol.
Where can I buy (E)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-((E)-3-phenylallylidene)hydrazinecarbothioamide?
You can request a quote for (E)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-((E)-3-phenylallylidene)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-((E)-3-phenylallylidene)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-((E)-3-phenylallylidene)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.