BAS 01355421
TL;DR: BAS 01355421 (CAS 362589-71-7) is a chemical compound with molecular formula C19H17F3N6OS and molecular weight 434.11 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-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: BAS 01355421, (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(3-imidazol-1-ylpropylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one, (E)-4-(1-((3-(1H-imidazol-1-yl)propyl)amino)ethylidene)-1-(benzo[d]thiazol-2-yl)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one, (4E)-1-(1,3-benzothiazol-2-yl)-4-(1-{[3-(1H-imidazol-1-yl)propyl]amino}ethylidene)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(1H-imidazol-1-yl)propyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C19H17F3N6OS |
|---|---|
| Molecular Weight | 434.11 g/mol |
| LogP | 3.8899 |
| Topological Polar Surface Area | 80.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.11368 |
| Heavy Atoms | 30 |
| Complexity | 1216.5194 |
Chemical Identifiers
| CAS Number | 362589-71-7 |
|---|---|
| SMILES | CC(=NCCCN1C=CN=C1)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F |
Product Overview
BAS 01355421 (CAS 362589-71-7), with molecular formula C19H17F3N6OS and molecular weight 434.11 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of BAS 01355421
Property Insights of BAS 01355421
The XLogP value of 3.8899 indicates that BAS 01355421 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01355421. Following Lipinski's Rule of Five, BAS 01355421 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 BAS 01355421?
The CAS number of BAS 01355421 is 362589-71-7.
What is the molecular formula of BAS 01355421?
The molecular formula of BAS 01355421 is C19H17F3N6OS.
What is the molecular weight of BAS 01355421?
The molecular weight of BAS 01355421 is 434.11 g/mol.
Where can I buy BAS 01355421?
You can request a quote for BAS 01355421 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01355421?
Yes, KEHONG BIO provides custom synthesis services for BAS 01355421 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.