![(4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-methoxyphenyl)ethyl]amino}ethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/433/433253-09-9.png)
(4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-methoxyphenyl)ethyl]amino}ethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
TL;DR: (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-methoxyphenyl)ethyl]amino}ethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one (CAS 433253-09-9) is a chemical compound with molecular formula C27H24N4O2S and molecular weight 468.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-4-[N-[2-(4-methoxyphenyl)ethyl]-C-methylcarbonimidoyl]-5-phenyl-1H-pyrazol-3-one
Also Known As: (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-methoxyphenyl)ethyl]amino}ethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-4-{(1Z)-N-[2-(4-methoxyphenyl)ethyl]ethanimidoyl}-5-phenyl-1,2-dihydro-3H-pyrazol-3-one, 2-benzothiazol-2-yl-4-[1-[2-(4-methoxyphenyl)ethylamino]ethylidene]-5-phenyl-pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-[2-(4-methoxyphenyl)ethylamino]ethylidene]-5-phenylpyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-[2-(4-methoxyphenyl)ethylamino]ethylidene]-5-phenylpyrazol-3-one
| Molecular Formula | C27H24N4O2S |
|---|---|
| Molecular Weight | 468.16 g/mol |
| LogP | 5.5026 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 468.162 |
| Heavy Atoms | 34 |
| Complexity | 1479.0874 |
Chemical Identifiers
| CAS Number | 433253-09-9 |
|---|---|
| SMILES | CC(=NCCC1=CC=C(C=C1)OC)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5 |
Product Overview
(4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-methoxyphenyl)ethyl]amino}ethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one (CAS 433253-09-9), with molecular formula C27H24N4O2S and molecular weight 468.16 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[N-[2-(4-methoxyphenyl)ethyl]-C-methylcarbonimidoyl]-5-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-methoxyphenyl)ethyl]amino}ethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Property Insights of (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-methoxyphenyl)ethyl]amino}ethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 5.5026 indicates that (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-methoxyphenyl)ethyl]amino}ethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.27 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-methoxyphenyl)ethyl]amino}ethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-methoxyphenyl)ethyl]amino}ethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-methoxyphenyl)ethyl]amino}ethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-methoxyphenyl)ethyl]amino}ethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one is 433253-09-9.
What is the molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-methoxyphenyl)ethyl]amino}ethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-methoxyphenyl)ethyl]amino}ethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one is C27H24N4O2S.
What is the molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-methoxyphenyl)ethyl]amino}ethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-methoxyphenyl)ethyl]amino}ethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one is 468.16 g/mol.
Where can I buy (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-methoxyphenyl)ethyl]amino}ethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-methoxyphenyl)ethyl]amino}ethylidene)-5-phenyl-2,4-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 (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-methoxyphenyl)ethyl]amino}ethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-methoxyphenyl)ethyl]amino}ethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.