![1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(1E)-N-(3-fluorophenyl)ethanimidoyl]-1H-pyrazol-5-ol structure](/static/products/5652/5652-98-2.webp)
1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(1E)-N-(3-fluorophenyl)ethanimidoyl]-1H-pyrazol-5-ol
TL;DR: 1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(1E)-N-(3-fluorophenyl)ethanimidoyl]-1H-pyrazol-5-ol (CAS 5652-98-2) is a chemical compound with molecular formula C25H18ClFN4OS2 and molecular weight 508.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-1H-pyrazol-3-one
Also Known As: 1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(1E)-N-(3-fluorophenyl)ethanimidoyl]-1H-pyrazol-5-ol, (4E)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[1-(3-fluoroanilino)ethylidene]pyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[1-(3-fluoroanilino)ethylidene]pyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{1-[(3-fluorophenyl)amino]ethylidene}-2,4-dihydro-3H-pyrazol-3-one, (Z)-1-(benzo[d]thiazol-2-yl)-3-(((4-chlorophenyl)thio)methyl)-4-(1-((3-fluorophenyl)amino)ethylidene)-1H-pyrazol-5(4H)-one
| Molecular Formula | C25H18ClFN4OS2 |
|---|---|
| Molecular Weight | 508.06 g/mol |
| LogP | 7.0008 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 508.05945 |
| Heavy Atoms | 34 |
| Complexity | 1537.151 |
Chemical Identifiers
| CAS Number | 5652-98-2 |
|---|---|
| SMILES | CC(=NC1=CC(=CC=C1)F)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)CSC5=CC=C(C=C5)Cl |
Product Overview
1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(1E)-N-(3-fluorophenyl)ethanimidoyl]-1H-pyrazol-5-ol (CAS 5652-98-2), with molecular formula C25H18ClFN4OS2 and molecular weight 508.06 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-1H-pyrazol-3-one.
Chemical Property Profile of 1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(1E)-N-(3-fluorophenyl)ethanimidoyl]-1H-pyrazol-5-ol
Property Insights of 1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(1E)-N-(3-fluorophenyl)ethanimidoyl]-1H-pyrazol-5-ol
The XLogP value of 7.0008 indicates that 1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(1E)-N-(3-fluorophenyl)ethanimidoyl]-1H-pyrazol-5-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(1E)-N-(3-fluorophenyl)ethanimidoyl]-1H-pyrazol-5-ol. Following Lipinski's Rule of Five, 1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(1E)-N-(3-fluorophenyl)ethanimidoyl]-1H-pyrazol-5-ol 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 1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(1E)-N-(3-fluorophenyl)ethanimidoyl]-1H-pyrazol-5-ol?
The CAS number of 1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(1E)-N-(3-fluorophenyl)ethanimidoyl]-1H-pyrazol-5-ol is 5652-98-2.
What is the molecular formula of 1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(1E)-N-(3-fluorophenyl)ethanimidoyl]-1H-pyrazol-5-ol?
The molecular formula of 1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(1E)-N-(3-fluorophenyl)ethanimidoyl]-1H-pyrazol-5-ol is C25H18ClFN4OS2.
What is the molecular weight of 1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(1E)-N-(3-fluorophenyl)ethanimidoyl]-1H-pyrazol-5-ol?
The molecular weight of 1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(1E)-N-(3-fluorophenyl)ethanimidoyl]-1H-pyrazol-5-ol is 508.06 g/mol.
Where can I buy 1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(1E)-N-(3-fluorophenyl)ethanimidoyl]-1H-pyrazol-5-ol?
You can request a quote for 1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(1E)-N-(3-fluorophenyl)ethanimidoyl]-1H-pyrazol-5-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(1E)-N-(3-fluorophenyl)ethanimidoyl]-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(1E)-N-(3-fluorophenyl)ethanimidoyl]-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.