BAS 13119055
TL;DR: BAS 13119055 (CAS 299936-93-9) is a chemical compound with molecular formula C22H26F3N5OS and molecular weight 465.18 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-(2,2,6,6-tetramethylpiperidin-4-yl)carbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: BAS 13119055, (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, (E)-1-(benzo[d]thiazol-2-yl)-4-(1-((2,2,6,6-tetramethylpiperidin-4-yl)amino)ethylidene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one, (4E)-1-(1,3-BENZOTHIAZOL-2-YL)-4-{1-[(2,2,6,6-TETRAMETHYLPIPERIDIN-4-YL)AMINO]ETHYLIDENE}-3-(TRIFLUOROMETHYL)-4,5-DIHYDRO-1H-PYRAZOL-5-ONE, (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylidene]-5-(trifluoromethyl)pyrazol-3-one
| Molecular Formula | C22H26F3N5OS |
|---|---|
| Molecular Weight | 465.18 g/mol |
| LogP | 4.9123 |
| Topological Polar Surface Area | 75.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 465.18103 |
| Heavy Atoms | 32 |
| Complexity | 1199.4604 |
Chemical Identifiers
| CAS Number | 299936-93-9 |
|---|---|
| SMILES | CC(=NC1CC(NC(C1)(C)C)(C)C)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F |
Product Overview
BAS 13119055 (CAS 299936-93-9), with molecular formula C22H26F3N5OS and molecular weight 465.18 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of BAS 13119055
Property Insights of BAS 13119055
The XLogP value of 4.9123 indicates that BAS 13119055 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13119055. Following Lipinski's Rule of Five, BAS 13119055 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 BAS 13119055?
The CAS number of BAS 13119055 is 299936-93-9.
What is the molecular formula of BAS 13119055?
The molecular formula of BAS 13119055 is C22H26F3N5OS.
What is the molecular weight of BAS 13119055?
The molecular weight of BAS 13119055 is 465.18 g/mol.
Where can I buy BAS 13119055?
You can request a quote for BAS 13119055 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13119055?
Yes, KEHONG BIO provides custom synthesis services for BAS 13119055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.