BAS 13119581
TL;DR: BAS 13119581 (CAS 353774-34-2) is a chemical compound with molecular formula C20H15F3N4OS and molecular weight 416.09 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-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: BAS 13119581, 2-(1,3-Benzothiazol-2-yl)-4-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-methylanilino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2-methylphenyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-methylanilino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one
| Molecular Formula | C20H15F3N4OS |
|---|---|
| Molecular Weight | 416.09 g/mol |
| LogP | 5.24322 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.09186 |
| Heavy Atoms | 29 |
| Complexity | 1264.0403 |
Chemical Identifiers
| CAS Number | 353774-34-2 |
|---|---|
| SMILES | CC1=CC=CC=C1N=C(C)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F |
Product Overview
BAS 13119581 (CAS 353774-34-2), with molecular formula C20H15F3N4OS and molecular weight 416.09 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of BAS 13119581
Property Insights of BAS 13119581
The XLogP value of 5.24322 indicates that BAS 13119581 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 BAS 13119581. Following Lipinski's Rule of Five, BAS 13119581 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 13119581?
The CAS number of BAS 13119581 is 353774-34-2.
What is the molecular formula of BAS 13119581?
The molecular formula of BAS 13119581 is C20H15F3N4OS.
What is the molecular weight of BAS 13119581?
The molecular weight of BAS 13119581 is 416.09 g/mol.
Where can I buy BAS 13119581?
You can request a quote for BAS 13119581 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13119581?
Yes, KEHONG BIO provides custom synthesis services for BAS 13119581 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.