TimTec1_000212
TL;DR: TimTec1_000212 (CAS 328277-72-1) is a chemical compound with molecular formula C18H12F3N5OS and molecular weight 403.07 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-(pyridin-3-ylmethyliminomethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: TimTec1_000212, BAS 01257185, (E)-2-(benzo[d]thiazol-2-yl)-4-(((pyridin-3-ylmethyl)imino)methyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(pyridin-3-ylmethyl)amino]methylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-4-(pyridin-3-ylmethyliminomethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
| Molecular Formula | C18H12F3N5OS |
|---|---|
| Molecular Weight | 403.07 g/mol |
| LogP | 3.8082 |
| Topological Polar Surface Area | 75.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.07147 |
| Heavy Atoms | 28 |
| Complexity | 1174.4124 |
Chemical Identifiers
| CAS Number | 328277-72-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)N3C(=O)C(=C(N3)C(F)(F)F)C=NCC4=CN=CC=C4 |
Product Overview
TimTec1_000212 (CAS 328277-72-1), with molecular formula C18H12F3N5OS and molecular weight 403.07 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-(pyridin-3-ylmethyliminomethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of TimTec1_000212
Property Insights of TimTec1_000212
The XLogP value of 3.8082 indicates that TimTec1_000212 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.93 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_000212. Following Lipinski's Rule of Five, TimTec1_000212 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 TimTec1_000212?
The CAS number of TimTec1_000212 is 328277-72-1.
What is the molecular formula of TimTec1_000212?
The molecular formula of TimTec1_000212 is C18H12F3N5OS.
What is the molecular weight of TimTec1_000212?
The molecular weight of TimTec1_000212 is 403.07 g/mol.
Where can I buy TimTec1_000212?
You can request a quote for TimTec1_000212 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_000212?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_000212 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.