BIM-0042624.P001
TL;DR: BIM-0042624.P001 (CAS 328280-06-4) is a chemical compound with molecular formula C17H11F3N4OS2 and molecular weight 408.03 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-(thiophen-2-ylmethyliminomethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: BIM-0042624.P001, 1-benzothiazol-2-yl-4-{[(2-thienylmethyl)amino]methylene}-3-(trifluoromethyl)- 1,2-diazolin-5-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-[(thiophen-2-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(thiophen-2-ylmethyl)amino]methylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(thiophen-2-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one
| Molecular Formula | C17H11F3N4OS2 |
|---|---|
| Molecular Weight | 408.03 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.03262 |
| Heavy Atoms | 27 |
| Complexity | 655.0 |
Chemical Identifiers
| CAS Number | 328280-06-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)N3C(=O)C(=C(N3)C(F)(F)F)C=NCC4=CC=CS4 |
| InChIKey | DJMXSYPUFMVWMJ-UHFFFAOYSA-N |
Product Overview
BIM-0042624.P001 (CAS 328280-06-4), with molecular formula C17H11F3N4OS2 and molecular weight 408.03 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-(thiophen-2-ylmethyliminomethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of BIM-0042624.P001
Property Insights of BIM-0042624.P001
The XLogP value of 4.3 indicates that BIM-0042624.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0042624.P001. Following Lipinski's Rule of Five, BIM-0042624.P001 has 1 hydrogen bond donor(s) and 9 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-0042624.P001?
The CAS number of BIM-0042624.P001 is 328280-06-4.
What is the molecular formula of BIM-0042624.P001?
The molecular formula of BIM-0042624.P001 is C17H11F3N4OS2.
What is the molecular weight of BIM-0042624.P001?
The molecular weight of BIM-0042624.P001 is 408.03 g/mol.
Where can I buy BIM-0042624.P001?
You can request a quote for BIM-0042624.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0042624.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0042624.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.