![2-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)benzylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/353/353771-88-7.png)
2-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)benzylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 2-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)benzylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one (CAS 353771-88-7) is a chemical compound with molecular formula C29H28N4OS2 and molecular weight 512.17 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-(diethylamino)phenyl]methylidene]-5-[(4-methylphenyl)sulfanylmethyl]pyrazol-3-one
Also Known As: 2-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)benzylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-[[4-(diethylamino)phenyl]methylidene]-5-[(4-methylphenyl)sulfanylmethyl]pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)benzylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one, (E)-1-(benzo[d]thiazol-2-yl)-4-(4-(diethylamino)benzylidene)-3-((p-tolylthio)methyl)-1H-pyrazol-5(4H)-one
| Molecular Formula | C29H28N4OS2 |
|---|---|
| Molecular Weight | 512.17 g/mol |
| LogP | 7.02942 |
| Topological Polar Surface Area | 48.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 512.1705 |
| Heavy Atoms | 36 |
| Complexity | 1401.4279 |
Chemical Identifiers
| CAS Number | 353771-88-7 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=C/2\C(=NN(C2=O)C3=NC4=CC=CC=C4S3)CSC5=CC=C(C=C5)C |
Product Overview
2-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)benzylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one (CAS 353771-88-7), with molecular formula C29H28N4OS2 and molecular weight 512.17 g/mol. IUPAC: (4E)-2-(1,3-benzothiazol-2-yl)-4-[[4-(diethylamino)phenyl]methylidene]-5-[(4-methylphenyl)sulfanylmethyl]pyrazol-3-one.
Chemical Property Profile of 2-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)benzylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 2-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)benzylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 7.02942 indicates that 2-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)benzylidene]-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 48.8 Ų, 2-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)benzylidene]-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, 2-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)benzylidene]-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 2-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)benzylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 2-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)benzylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one is 353771-88-7.
What is the molecular formula of 2-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)benzylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 2-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)benzylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one is C29H28N4OS2.
What is the molecular weight of 2-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)benzylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 2-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)benzylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one is 512.17 g/mol.
Where can I buy 2-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)benzylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 2-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)benzylidene]-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 2-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)benzylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)benzylidene]-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.