BAS 01257345
TL;DR: BAS 01257345 (CAS 337341-16-9) is a chemical compound with molecular formula C16H15F3N4O2S and molecular weight 384.09 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-[N-(3-hydroxypropyl)-C-methylcarbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: BAS 01257345, (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(3-hydroxypropyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, (E)-1-(benzo[d]thiazol-2-yl)-4-(1-((3-hydroxypropyl)amino)ethylidene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one, (4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(3-hydroxypropyl)amino]ethylidene}-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(3-hydroxypropylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one
| Molecular Formula | C16H15F3N4O2S |
|---|---|
| Molecular Weight | 384.09 g/mol |
| LogP | 2.9855 |
| Topological Polar Surface Area | 83.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.0868 |
| Heavy Atoms | 26 |
| Complexity | 983.5839 |
Chemical Identifiers
| CAS Number | 337341-16-9 |
|---|---|
| SMILES | CC(=NCCCO)C1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F |
Product Overview
BAS 01257345 (CAS 337341-16-9), with molecular formula C16H15F3N4O2S and molecular weight 384.09 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[N-(3-hydroxypropyl)-C-methylcarbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of BAS 01257345
Property Insights of BAS 01257345
The XLogP value of 2.9855 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01257345. The TPSA of 83.27 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01257345. Following Lipinski's Rule of Five, BAS 01257345 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 01257345?
The CAS number of BAS 01257345 is 337341-16-9.
What is the molecular formula of BAS 01257345?
The molecular formula of BAS 01257345 is C16H15F3N4O2S.
What is the molecular weight of BAS 01257345?
The molecular weight of BAS 01257345 is 384.09 g/mol.
Where can I buy BAS 01257345?
You can request a quote for BAS 01257345 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01257345?
Yes, KEHONG BIO provides custom synthesis services for BAS 01257345 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.