![4-[(allylimino)methyl]-2-(1,3-benzothiazol-2-yl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one structure](/static/products/3534/353469-68-8.webp)
4-[(allylimino)methyl]-2-(1,3-benzothiazol-2-yl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one
TL;DR: 4-[(allylimino)methyl]-2-(1,3-benzothiazol-2-yl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one (CAS 353469-68-8) is a chemical compound with molecular formula C20H16N4OS and molecular weight 360.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-5-phenyl-4-(prop-2-enyliminomethyl)-1H-pyrazol-3-one
Also Known As: 4-[(allylimino)methyl]-2-(1,3-benzothiazol-2-yl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(prop-2-enylamino)methylidene]pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-5-phenyl-4-(prop-2-enyliminomethyl)-1H-pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(prop-2-enylamino)methylidene]pyrazol-3-one
| Molecular Formula | C20H16N4OS |
|---|---|
| Molecular Weight | 360.10 g/mol |
| LogP | 4.0472 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.1045 |
| Heavy Atoms | 26 |
| Complexity | 1118.4945 |
Chemical Identifiers
| CAS Number | 353469-68-8 |
|---|---|
| SMILES | C=CCN=CC1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4 |
Product Overview
4-[(allylimino)methyl]-2-(1,3-benzothiazol-2-yl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one (CAS 353469-68-8), with molecular formula C20H16N4OS and molecular weight 360.10 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-5-phenyl-4-(prop-2-enyliminomethyl)-1H-pyrazol-3-one.
Chemical Property Profile of 4-[(allylimino)methyl]-2-(1,3-benzothiazol-2-yl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one
Property Insights of 4-[(allylimino)methyl]-2-(1,3-benzothiazol-2-yl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one
The XLogP value of 4.0472 indicates that 4-[(allylimino)methyl]-2-(1,3-benzothiazol-2-yl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(allylimino)methyl]-2-(1,3-benzothiazol-2-yl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-[(allylimino)methyl]-2-(1,3-benzothiazol-2-yl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one has 1 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 4-[(allylimino)methyl]-2-(1,3-benzothiazol-2-yl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one?
The CAS number of 4-[(allylimino)methyl]-2-(1,3-benzothiazol-2-yl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one is 353469-68-8.
What is the molecular formula of 4-[(allylimino)methyl]-2-(1,3-benzothiazol-2-yl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-[(allylimino)methyl]-2-(1,3-benzothiazol-2-yl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one is C20H16N4OS.
What is the molecular weight of 4-[(allylimino)methyl]-2-(1,3-benzothiazol-2-yl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-[(allylimino)methyl]-2-(1,3-benzothiazol-2-yl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one is 360.10 g/mol.
Where can I buy 4-[(allylimino)methyl]-2-(1,3-benzothiazol-2-yl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-[(allylimino)methyl]-2-(1,3-benzothiazol-2-yl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(allylimino)methyl]-2-(1,3-benzothiazol-2-yl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(allylimino)methyl]-2-(1,3-benzothiazol-2-yl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.