![2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methylene]-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/3537/353771-55-8.webp)
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methylene]-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methylene]-2,4-dihydro-3H-pyrazol-3-one (CAS 353771-55-8) is a chemical compound with molecular formula C20H17ClN4OS2 and molecular weight 428.05 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)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(dimethylaminomethylidene)pyrazol-3-one
Also Known As: 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methylene]-2,4-dihydro-3H-pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(dimethylaminomethylidene)pyrazol-3-one, 2-(1,3-BENZOTHIAZOL-2-YL)-5-{[(4-CHLOROPHENYL)SULFANYL]METHYL}-4-[(E)-1-(DIMETHYLAMINO)METHYLIDENE]-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
| Molecular Formula | C20H17ClN4OS2 |
|---|---|
| Molecular Weight | 428.05 g/mol |
| LogP | 4.8901 |
| Topological Polar Surface Area | 48.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.05322 |
| Heavy Atoms | 28 |
| Complexity | 1056.0386 |
Chemical Identifiers
| CAS Number | 353771-55-8 |
|---|---|
| SMILES | CN(C)/C=C/1\C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)Cl |
Product Overview
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methylene]-2,4-dihydro-3H-pyrazol-3-one (CAS 353771-55-8), with molecular formula C20H17ClN4OS2 and molecular weight 428.05 g/mol. IUPAC: (4E)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(dimethylaminomethylidene)pyrazol-3-one.
Chemical Property Profile of 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methylene]-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methylene]-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 4.8901 indicates that 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methylene]-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)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methylene]-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)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methylene]-2,4-dihydro-3H-pyrazol-3-one has 0 hydrogen bond donor(s) and 6 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 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methylene]-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methylene]-2,4-dihydro-3H-pyrazol-3-one is 353771-55-8.
What is the molecular formula of 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methylene]-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methylene]-2,4-dihydro-3H-pyrazol-3-one is C20H17ClN4OS2.
What is the molecular weight of 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methylene]-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methylene]-2,4-dihydro-3H-pyrazol-3-one is 428.05 g/mol.
Where can I buy 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methylene]-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methylene]-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)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methylene]-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methylene]-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.