![1-(1,3-benzothiazol-2-yl)-4-{(E)-[(4-methoxybenzyl)imino]methyl}-3-phenyl-1H-pyrazol-5-ol structure](/static/products/5255/525581-48-0.webp)
1-(1,3-benzothiazol-2-yl)-4-{(E)-[(4-methoxybenzyl)imino]methyl}-3-phenyl-1H-pyrazol-5-ol
TL;DR: 1-(1,3-benzothiazol-2-yl)-4-{(E)-[(4-methoxybenzyl)imino]methyl}-3-phenyl-1H-pyrazol-5-ol (CAS 525581-48-0) is a chemical compound with molecular formula C25H20N4O2S and molecular weight 440.13 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-[(4-methoxyphenyl)methyliminomethyl]-5-phenyl-1H-pyrazol-3-one
Also Known As: 1-(1,3-benzothiazol-2-yl)-4-{(E)-[(4-methoxybenzyl)imino]methyl}-3-phenyl-1H-pyrazol-5-ol, AJ-292/14241002, 2-(1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)methyliminomethyl]-5-phenyl-1H-pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-4-{(E)-[(4-methoxybenzyl)imino]methyl}-5-phenyl-1,2-dihydro-3H-pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-4-{[(4-methoxybenzyl)amino]methylene}-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C25H20N4O2S |
|---|---|
| Molecular Weight | 440.13 g/mol |
| LogP | 5.07 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.1307 |
| Heavy Atoms | 32 |
| Complexity | 1414.132 |
Chemical Identifiers
| CAS Number | 525581-48-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN=CC2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5 |
Product Overview
1-(1,3-benzothiazol-2-yl)-4-{(E)-[(4-methoxybenzyl)imino]methyl}-3-phenyl-1H-pyrazol-5-ol (CAS 525581-48-0), with molecular formula C25H20N4O2S and molecular weight 440.13 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)methyliminomethyl]-5-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of 1-(1,3-benzothiazol-2-yl)-4-{(E)-[(4-methoxybenzyl)imino]methyl}-3-phenyl-1H-pyrazol-5-ol
Property Insights of 1-(1,3-benzothiazol-2-yl)-4-{(E)-[(4-methoxybenzyl)imino]methyl}-3-phenyl-1H-pyrazol-5-ol
The XLogP value of 5.07 indicates that 1-(1,3-benzothiazol-2-yl)-4-{(E)-[(4-methoxybenzyl)imino]methyl}-3-phenyl-1H-pyrazol-5-ol 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 1-(1,3-benzothiazol-2-yl)-4-{(E)-[(4-methoxybenzyl)imino]methyl}-3-phenyl-1H-pyrazol-5-ol. Following Lipinski's Rule of Five, 1-(1,3-benzothiazol-2-yl)-4-{(E)-[(4-methoxybenzyl)imino]methyl}-3-phenyl-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)-4-{(E)-[(4-methoxybenzyl)imino]methyl}-3-phenyl-1H-pyrazol-5-ol?
The CAS number of 1-(1,3-benzothiazol-2-yl)-4-{(E)-[(4-methoxybenzyl)imino]methyl}-3-phenyl-1H-pyrazol-5-ol is 525581-48-0.
What is the molecular formula of 1-(1,3-benzothiazol-2-yl)-4-{(E)-[(4-methoxybenzyl)imino]methyl}-3-phenyl-1H-pyrazol-5-ol?
The molecular formula of 1-(1,3-benzothiazol-2-yl)-4-{(E)-[(4-methoxybenzyl)imino]methyl}-3-phenyl-1H-pyrazol-5-ol is C25H20N4O2S.
What is the molecular weight of 1-(1,3-benzothiazol-2-yl)-4-{(E)-[(4-methoxybenzyl)imino]methyl}-3-phenyl-1H-pyrazol-5-ol?
The molecular weight of 1-(1,3-benzothiazol-2-yl)-4-{(E)-[(4-methoxybenzyl)imino]methyl}-3-phenyl-1H-pyrazol-5-ol is 440.13 g/mol.
Where can I buy 1-(1,3-benzothiazol-2-yl)-4-{(E)-[(4-methoxybenzyl)imino]methyl}-3-phenyl-1H-pyrazol-5-ol?
You can request a quote for 1-(1,3-benzothiazol-2-yl)-4-{(E)-[(4-methoxybenzyl)imino]methyl}-3-phenyl-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)-4-{(E)-[(4-methoxybenzyl)imino]methyl}-3-phenyl-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzothiazol-2-yl)-4-{(E)-[(4-methoxybenzyl)imino]methyl}-3-phenyl-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.