BAS 13118231
TL;DR: BAS 13118231 (CAS 519019-20-6) is a chemical compound with molecular formula C19H11Cl2F3N4OS and molecular weight 470.00 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-[(3,4-dichlorophenyl)methyliminomethyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: BAS 13118231, (4E)-2-(1,3-benzothiazol-2-yl)-4-[[(3,4-dichlorophenyl)methylamino]methylidene]-5-(trifluoromethyl)pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(3,4-dichlorobenzyl)amino]methylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-4-[[(3,4-dichlorophenyl)methylamino]methylidene]-5-(trifluoromethyl)pyrazol-3-one, (E)-1-(benzo[d]thiazol-2-yl)-4-(((3,4-dichlorobenzyl)amino)methylene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one
| Molecular Formula | C19H11Cl2F3N4OS |
|---|---|
| Molecular Weight | 470.00 g/mol |
| LogP | 5.72 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 469.99826 |
| Heavy Atoms | 30 |
| Complexity | 1290.5511 |
Chemical Identifiers
| CAS Number | 519019-20-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)N3C(=O)C(=C(N3)C(F)(F)F)C=NCC4=CC(=C(C=C4)Cl)Cl |
Product Overview
BAS 13118231 (CAS 519019-20-6), with molecular formula C19H11Cl2F3N4OS and molecular weight 470.00 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[(3,4-dichlorophenyl)methyliminomethyl]-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of BAS 13118231
Property Insights of BAS 13118231
The XLogP value of 5.72 indicates that BAS 13118231 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.04 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13118231. Following Lipinski's Rule of Five, BAS 13118231 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 13118231?
The CAS number of BAS 13118231 is 519019-20-6.
What is the molecular formula of BAS 13118231?
The molecular formula of BAS 13118231 is C19H11Cl2F3N4OS.
What is the molecular weight of BAS 13118231?
The molecular weight of BAS 13118231 is 470.00 g/mol.
Where can I buy BAS 13118231?
You can request a quote for BAS 13118231 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13118231?
Yes, KEHONG BIO provides custom synthesis services for BAS 13118231 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.