![1-[(E)-[3-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea structure](/static/products/955/955892-96-3.png)
1-[(E)-[3-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea
TL;DR: 1-[(E)-[3-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea (CAS 955892-96-3) is a chemical compound with molecular formula C22H24N6O2S2 and molecular weight 468.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(Z)-[3-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea
Also Known As: 1-[(E)-[3-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea, (2Z)-2-({3-[4-(dimethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-N-(prop-2-en-1-yl)hydrazinecarbothioamide, 1-[(Z)-[3-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea
| Molecular Formula | C22H24N6O2S2 |
|---|---|
| Molecular Weight | 468.14 g/mol |
| LogP | 2.7736 |
| Topological Polar Surface Area | 91.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.14023 |
| Heavy Atoms | 32 |
| Complexity | 1217.0668 |
Chemical Identifiers
| CAS Number | 955892-96-3 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC=C(C=C1)C2=NN(C=C2/C=N\NC(=S)NCC=C)C3=CC=CC=C3 |
Product Overview
1-[(E)-[3-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea (CAS 955892-96-3), with molecular formula C22H24N6O2S2 and molecular weight 468.14 g/mol. IUPAC: 1-[(Z)-[3-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea.
Chemical Property Profile of 1-[(E)-[3-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea
Property Insights of 1-[(E)-[3-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea
The XLogP value of 2.7736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(E)-[3-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea. The TPSA of 91.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(E)-[3-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea. Following Lipinski's Rule of Five, 1-[(E)-[3-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea has 2 hydrogen bond donor(s) and 5 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-[(E)-[3-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea?
The CAS number of 1-[(E)-[3-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea is 955892-96-3.
What is the molecular formula of 1-[(E)-[3-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea?
The molecular formula of 1-[(E)-[3-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea is C22H24N6O2S2.
What is the molecular weight of 1-[(E)-[3-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea?
The molecular weight of 1-[(E)-[3-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea is 468.14 g/mol.
Where can I buy 1-[(E)-[3-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea?
You can request a quote for 1-[(E)-[3-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(E)-[3-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(E)-[3-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.