AJ-292/14241001
TL;DR: AJ-292/14241001 (CAS 354546-39-7) is a chemical compound with molecular formula C20H15F3N4O2S and molecular weight 432.09 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-[N-(2-hydroxy-5-methylphenyl)-C-methylcarbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: AJ-292/14241001, 2-(1,3-benzothiazol-2-yl)-4-[(1E)-N-(2-hydroxy-5-methylphenyl)ethanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one, 2-(1,3-Benzothiazol-2-yl)-4-[N-(2-hydroxy-5-methylphenyl)-C-methylcarbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-hydroxy-5-methylanilino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-hydroxy-5-methylanilino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one
| Molecular Formula | C20H15F3N4O2S |
|---|---|
| Molecular Weight | 432.09 g/mol |
| LogP | 4.94882 |
| Topological Polar Surface Area | 83.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 432.0868 |
| Heavy Atoms | 30 |
| Complexity | 1315.3329 |
Chemical Identifiers
| CAS Number | 354546-39-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)O)N=C(C)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F |
Product Overview
AJ-292/14241001 (CAS 354546-39-7), with molecular formula C20H15F3N4O2S and molecular weight 432.09 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[N-(2-hydroxy-5-methylphenyl)-C-methylcarbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of AJ-292/14241001
Property Insights of AJ-292/14241001
The XLogP value of 4.94882 indicates that AJ-292/14241001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.27 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/14241001. Following Lipinski's Rule of Five, AJ-292/14241001 has 2 hydrogen bond donor(s) and 5 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 AJ-292/14241001?
The CAS number of AJ-292/14241001 is 354546-39-7.
What is the molecular formula of AJ-292/14241001?
The molecular formula of AJ-292/14241001 is C20H15F3N4O2S.
What is the molecular weight of AJ-292/14241001?
The molecular weight of AJ-292/14241001 is 432.09 g/mol.
Where can I buy AJ-292/14241001?
You can request a quote for AJ-292/14241001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/14241001?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/14241001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.