BIM-0036978.P001
TL;DR: BIM-0036978.P001 (CAS 353773-39-4) is a chemical compound with molecular formula C20H14ClF3N4O2S and molecular weight 466.05 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-(5-chloro-2-hydroxyphenyl)-C-ethylcarbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: BIM-0036978.P001, 2-(1,3-benzothiazol-2-yl)-4-[1-(5-chloro-2-hydroxyanilino)propylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, 2-(1,3-Benzothiazol-2-yl)-4-[N-(5-chloro-2-hydroxyphenyl)-C-ethylcarbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(5-chloro-2-hydroxyanilino)propylidene]-5-(trifluoromethyl)pyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(5-chloro-2-hydroxyphenyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C20H14ClF3N4O2S |
|---|---|
| Molecular Weight | 466.05 g/mol |
| LogP | 5.6839 |
| Topological Polar Surface Area | 83.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.04782 |
| Heavy Atoms | 31 |
| Complexity | 1338.0029 |
Chemical Identifiers
| CAS Number | 353773-39-4 |
|---|---|
| SMILES | CCC(=NC1=C(C=CC(=C1)Cl)O)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F |
Product Overview
BIM-0036978.P001 (CAS 353773-39-4), with molecular formula C20H14ClF3N4O2S and molecular weight 466.05 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[N-(5-chloro-2-hydroxyphenyl)-C-ethylcarbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of BIM-0036978.P001
Property Insights of BIM-0036978.P001
The XLogP value of 5.6839 indicates that BIM-0036978.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.27 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0036978.P001. Following Lipinski's Rule of Five, BIM-0036978.P001 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0036978.P001?
The CAS number of BIM-0036978.P001 is 353773-39-4.
What is the molecular formula of BIM-0036978.P001?
The molecular formula of BIM-0036978.P001 is C20H14ClF3N4O2S.
What is the molecular weight of BIM-0036978.P001?
The molecular weight of BIM-0036978.P001 is 466.05 g/mol.
Where can I buy BIM-0036978.P001?
You can request a quote for BIM-0036978.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0036978.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0036978.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.