![(4E)-2-(1,3-benzothiazol-2-yl)-4-{[(5-chloro-2-phenoxyphenyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/444/444768-47-2.png)
(4E)-2-(1,3-benzothiazol-2-yl)-4-{[(5-chloro-2-phenoxyphenyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
TL;DR: (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(5-chloro-2-phenoxyphenyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one (CAS 444768-47-2) is a chemical compound with molecular formula C26H21ClN4O2S and molecular weight 488.11 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-[(5-chloro-2-phenoxyphenyl)iminomethyl]-5-propyl-1H-pyrazol-3-one
Also Known As: (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(5-chloro-2-phenoxyphenyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(5-chloro-2-phenoxyanilino)methylidene]-5-propylpyrazol-3-one, (E)-1-(benzo[d]thiazol-2-yl)-4-(((5-chloro-2-phenoxyphenyl)amino)methylene)-3-propyl-1H-pyrazol-5(4H)-one, 2-(1,3-benzothiazol-2-yl)-4-[(5-chloro-2-phenoxyanilino)methylidene]-5-propylpyrazol-3-one, 2-benzothiazol-2-yl-4-[[(5-chloro-2-phenoxy-phenyl)amino]methylidene]-5-propyl-pyrazol-3-one
| Molecular Formula | C26H21ClN4O2S |
|---|---|
| Molecular Weight | 488.11 g/mol |
| LogP | 6.9241 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.10736 |
| Heavy Atoms | 34 |
| Complexity | 1502.753 |
Chemical Identifiers
| CAS Number | 444768-47-2 |
|---|---|
| SMILES | CCCC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C=NC4=C(C=CC(=C4)Cl)OC5=CC=CC=C5 |
Product Overview
(4E)-2-(1,3-benzothiazol-2-yl)-4-{[(5-chloro-2-phenoxyphenyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one (CAS 444768-47-2), with molecular formula C26H21ClN4O2S and molecular weight 488.11 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[(5-chloro-2-phenoxyphenyl)iminomethyl]-5-propyl-1H-pyrazol-3-one.
Chemical Property Profile of (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(5-chloro-2-phenoxyphenyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Property Insights of (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(5-chloro-2-phenoxyphenyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 6.9241 indicates that (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(5-chloro-2-phenoxyphenyl)amino]methylidene}-5-propyl-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-{[(5-chloro-2-phenoxyphenyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(5-chloro-2-phenoxyphenyl)amino]methylidene}-5-propyl-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-{[(5-chloro-2-phenoxyphenyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(5-chloro-2-phenoxyphenyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one is 444768-47-2.
What is the molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(5-chloro-2-phenoxyphenyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(5-chloro-2-phenoxyphenyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one is C26H21ClN4O2S.
What is the molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(5-chloro-2-phenoxyphenyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(5-chloro-2-phenoxyphenyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one is 488.11 g/mol.
Where can I buy (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(5-chloro-2-phenoxyphenyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(5-chloro-2-phenoxyphenyl)amino]methylidene}-5-propyl-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-{[(5-chloro-2-phenoxyphenyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(5-chloro-2-phenoxyphenyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.