![(4E)-2-(1,3-benzothiazol-2-yl)-4-(4-methoxybenzylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/4237/423730-45-4.webp)
(4E)-2-(1,3-benzothiazol-2-yl)-4-(4-methoxybenzylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
TL;DR: (4E)-2-(1,3-benzothiazol-2-yl)-4-(4-methoxybenzylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one (CAS 423730-45-4) is a chemical compound with molecular formula C26H21N3O2S2 and molecular weight 471.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-2-(1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)methylidene]-5-[(4-methylphenyl)sulfanylmethyl]pyrazol-3-one
Also Known As: (4E)-2-(1,3-benzothiazol-2-yl)-4-(4-methoxybenzylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)methylidene]-5-[(4-methylphenyl)sulfanylmethyl]pyrazol-3-one
| Molecular Formula | C26H21N3O2S2 |
|---|---|
| Molecular Weight | 471.11 g/mol |
| LogP | 6.19182 |
| Topological Polar Surface Area | 54.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.1075 |
| Heavy Atoms | 33 |
| Complexity | 1339.9515 |
Chemical Identifiers
| CAS Number | 423730-45-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC\2=NN(C(=O)/C2=C/C3=CC=C(C=C3)OC)C4=NC5=CC=CC=C5S4 |
Product Overview
(4E)-2-(1,3-benzothiazol-2-yl)-4-(4-methoxybenzylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one (CAS 423730-45-4), with molecular formula C26H21N3O2S2 and molecular weight 471.11 g/mol. IUPAC: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)methylidene]-5-[(4-methylphenyl)sulfanylmethyl]pyrazol-3-one.
Chemical Property Profile of (4E)-2-(1,3-benzothiazol-2-yl)-4-(4-methoxybenzylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Property Insights of (4E)-2-(1,3-benzothiazol-2-yl)-4-(4-methoxybenzylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 6.19182 indicates that (4E)-2-(1,3-benzothiazol-2-yl)-4-(4-methoxybenzylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.79 Ų, (4E)-2-(1,3-benzothiazol-2-yl)-4-(4-methoxybenzylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4E)-2-(1,3-benzothiazol-2-yl)-4-(4-methoxybenzylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one has 0 hydrogen bond donor(s) and 6 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-(4-methoxybenzylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of (4E)-2-(1,3-benzothiazol-2-yl)-4-(4-methoxybenzylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one is 423730-45-4.
What is the molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-4-(4-methoxybenzylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-4-(4-methoxybenzylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one is C26H21N3O2S2.
What is the molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-4-(4-methoxybenzylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-4-(4-methoxybenzylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one is 471.11 g/mol.
Where can I buy (4E)-2-(1,3-benzothiazol-2-yl)-4-(4-methoxybenzylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for (4E)-2-(1,3-benzothiazol-2-yl)-4-(4-methoxybenzylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-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-(4-methoxybenzylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-2-(1,3-benzothiazol-2-yl)-4-(4-methoxybenzylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.