BAS 01355445
TL;DR: BAS 01355445 (CAS 337502-74-6) is a chemical compound with molecular formula C20H15F3N4O2S and molecular weight 432.09 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-[(4-methoxyphenyl)methyliminomethyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: BAS 01355445, (4E)-2-(1,3-benzothiazol-2-yl)-4-[[(4-methoxyphenyl)methylamino]methylidene]-5-(trifluoromethyl)pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(4-methoxybenzyl)amino]methylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, (E)-1-(benzo[d]thiazol-2-yl)-4-(((4-methoxybenzyl)amino)methylene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one, 2-(1,3-benzothiazol-2-yl)-4-[[(4-methoxyphenyl)methylamino]methylidene]-5-(trifluoromethyl)pyrazol-3-one
| Molecular Formula | C20H15F3N4O2S |
|---|---|
| Molecular Weight | 432.09 g/mol |
| LogP | 4.4218 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.0868 |
| Heavy Atoms | 30 |
| Complexity | 1236.9316 |
Chemical Identifiers
| CAS Number | 337502-74-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN=CC2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F |
Product Overview
BAS 01355445 (CAS 337502-74-6), with molecular formula C20H15F3N4O2S and molecular weight 432.09 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)methyliminomethyl]-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of BAS 01355445
Property Insights of BAS 01355445
The XLogP value of 4.4218 indicates that BAS 01355445 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.27 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01355445. Following Lipinski's Rule of Five, BAS 01355445 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 01355445?
The CAS number of BAS 01355445 is 337502-74-6.
What is the molecular formula of BAS 01355445?
The molecular formula of BAS 01355445 is C20H15F3N4O2S.
What is the molecular weight of BAS 01355445?
The molecular weight of BAS 01355445 is 432.09 g/mol.
Where can I buy BAS 01355445?
You can request a quote for BAS 01355445 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01355445?
Yes, KEHONG BIO provides custom synthesis services for BAS 01355445 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.