BAS 13119582
TL;DR: BAS 13119582 (CAS 353774-55-7) is a chemical compound with molecular formula C20H19F3N6OS and molecular weight 448.13 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-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: BAS 13119582, BIM-0036869.P001, 2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(1H-imidazol-1-yl)propyl]amino}propylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(1H-imidazol-1-yl)propyl]amino}propylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, (E)-4-(1-((3-(1H-imidazol-1-yl)propyl)amino)propylidene)-1-(benzo[d]thiazol-2-yl)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one
| Molecular Formula | C20H19F3N6OS |
|---|---|
| Molecular Weight | 448.13 g/mol |
| LogP | 4.28 |
| Topological Polar Surface Area | 80.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 448.1293 |
| Heavy Atoms | 31 |
| Complexity | 1233.3016 |
Chemical Identifiers
| CAS Number | 353774-55-7 |
|---|---|
| SMILES | CCC(=NCCCN1C=CN=C1)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F |
Product Overview
BAS 13119582 (CAS 353774-55-7), with molecular formula C20H19F3N6OS and molecular weight 448.13 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of BAS 13119582
Property Insights of BAS 13119582
The XLogP value of 4.28 indicates that BAS 13119582 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 13119582. Following Lipinski's Rule of Five, BAS 13119582 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 13119582?
The CAS number of BAS 13119582 is 353774-55-7.
What is the molecular formula of BAS 13119582?
The molecular formula of BAS 13119582 is C20H19F3N6OS.
What is the molecular weight of BAS 13119582?
The molecular weight of BAS 13119582 is 448.13 g/mol.
Where can I buy BAS 13119582?
You can request a quote for BAS 13119582 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13119582?
Yes, KEHONG BIO provides custom synthesis services for BAS 13119582 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.