TimTec1_001128
TL;DR: TimTec1_001128 (CAS 337339-96-5) is a chemical compound with molecular formula C21H17F3N4O3S and molecular weight 462.10 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-(3,4-dimethoxyphenyl)-C-methylcarbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: TimTec1_001128, BAS 01257199, BRD-K54286845-001-01-2, (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(3,4-dimethoxyanilino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(3,4-dimethoxyanilino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one
| Molecular Formula | C21H17F3N4O3S |
|---|---|
| Molecular Weight | 462.10 g/mol |
| LogP | 4.952 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.09735 |
| Heavy Atoms | 32 |
| Complexity | 1352.192 |
Chemical Identifiers
| CAS Number | 337339-96-5 |
|---|---|
| SMILES | CC(=NC1=CC(=C(C=C1)OC)OC)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F |
Product Overview
TimTec1_001128 (CAS 337339-96-5), with molecular formula C21H17F3N4O3S and molecular weight 462.10 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[N-(3,4-dimethoxyphenyl)-C-methylcarbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of TimTec1_001128
Property Insights of TimTec1_001128
The XLogP value of 4.952 indicates that TimTec1_001128 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_001128. Following Lipinski's Rule of Five, TimTec1_001128 has 1 hydrogen bond donor(s) and 6 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 TimTec1_001128?
The CAS number of TimTec1_001128 is 337339-96-5.
What is the molecular formula of TimTec1_001128?
The molecular formula of TimTec1_001128 is C21H17F3N4O3S.
What is the molecular weight of TimTec1_001128?
The molecular weight of TimTec1_001128 is 462.10 g/mol.
Where can I buy TimTec1_001128?
You can request a quote for TimTec1_001128 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_001128?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_001128 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.