MixCom6_001767
TL;DR: MixCom6_001767 (CAS 1164464-28-1) is a chemical compound with molecular formula C19H15F3N4O2S and molecular weight 420.09 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-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: MixCom6_001767, (E)-1-(benzo[d]thiazol-2-yl)-4-(1-((furan-2-ylmethyl)amino)propylidene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one, 2-(1,3-benzothiazol-2-yl)-4-{1-[(2-furylmethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, (4E)-1-(1,3-BENZOTHIAZOL-2-YL)-4-(1-{[(FURAN-2-YL)METHYL]AMINO}PROPYLIDENE)-3-(TRIFLUOROMETHYL)-4,5-DIHYDRO-1H-PYRAZOL-5-ONE, (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(furan-2-ylmethylamino)propylidene]-5-(trifluoromethyl)pyrazol-3-one
| Molecular Formula | C19H15F3N4O2S |
|---|---|
| Molecular Weight | 420.09 g/mol |
| LogP | 4.7864 |
| Topological Polar Surface Area | 76.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.0868 |
| Heavy Atoms | 29 |
| Complexity | 1199.5964 |
Chemical Identifiers
| CAS Number | 1164464-28-1 |
|---|---|
| SMILES | CCC(=NCC1=CC=CO1)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F |
Product Overview
MixCom6_001767 (CAS 1164464-28-1), with molecular formula C19H15F3N4O2S and molecular weight 420.09 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of MixCom6_001767
Property Insights of MixCom6_001767
The XLogP value of 4.7864 indicates that MixCom6_001767 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.18 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_001767. Following Lipinski's Rule of Five, MixCom6_001767 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 MixCom6_001767?
The CAS number of MixCom6_001767 is 1164464-28-1.
What is the molecular formula of MixCom6_001767?
The molecular formula of MixCom6_001767 is C19H15F3N4O2S.
What is the molecular weight of MixCom6_001767?
The molecular weight of MixCom6_001767 is 420.09 g/mol.
Where can I buy MixCom6_001767?
You can request a quote for MixCom6_001767 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_001767?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_001767 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.