BIM-0049126.P001
TL;DR: BIM-0049126.P001 (CAS 354543-22-9) is a chemical compound with molecular formula C17H15F3N4O2S and molecular weight 396.09 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-(oxolan-2-ylmethyliminomethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: BIM-0049126.P001, AB00091408-01, (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(oxolan-2-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one, (E)-2-(benzo[d]thiazol-2-yl)-4-((((tetrahydrofuran-2-yl)methyl)imino)methyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one, 1-benzothiazol-2-yl-4-{[(oxolan-2-ylmethyl)amino]methylene}-3-(trifluoromethyl )-1,2-diazolin-5-one
| Molecular Formula | C17H15F3N4O2S |
|---|---|
| Molecular Weight | 396.09 g/mol |
| LogP | 3.392 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.0868 |
| Heavy Atoms | 27 |
| Complexity | 1011.54706 |
Chemical Identifiers
| CAS Number | 354543-22-9 |
|---|---|
| SMILES | C1CC(OC1)CN=CC2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F |
Product Overview
BIM-0049126.P001 (CAS 354543-22-9), with molecular formula C17H15F3N4O2S and molecular weight 396.09 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-(oxolan-2-ylmethyliminomethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of BIM-0049126.P001
Property Insights of BIM-0049126.P001
The XLogP value of 3.392 indicates that BIM-0049126.P001 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 BIM-0049126.P001. Following Lipinski's Rule of Five, BIM-0049126.P001 has 1 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 BIM-0049126.P001?
The CAS number of BIM-0049126.P001 is 354543-22-9.
What is the molecular formula of BIM-0049126.P001?
The molecular formula of BIM-0049126.P001 is C17H15F3N4O2S.
What is the molecular weight of BIM-0049126.P001?
The molecular weight of BIM-0049126.P001 is 396.09 g/mol.
Where can I buy BIM-0049126.P001?
You can request a quote for BIM-0049126.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0049126.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0049126.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.