MixCom6_001805
TL;DR: MixCom6_001805 (CAS 353763-47-0) is a chemical compound with molecular formula C21H17F3N4OS and molecular weight 430.11 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-benzyl-C-ethylcarbonimidoyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: MixCom6_001805, BAS 01174163, AN-512/13262103, 2-Benzothiazol-2-yl-4-(1-benzylamino-propylidene)-5-trifluoromethyl-2,4-dihydro-pyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(benzylamino)propylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C21H17F3N4OS |
|---|---|
| Molecular Weight | 430.11 g/mol |
| LogP | 5.1934 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.1075 |
| Heavy Atoms | 30 |
| Complexity | 1235.8865 |
Chemical Identifiers
| CAS Number | 353763-47-0 |
|---|---|
| SMILES | CCC(=NCC1=CC=CC=C1)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F |
Product Overview
MixCom6_001805 (CAS 353763-47-0), with molecular formula C21H17F3N4OS and molecular weight 430.11 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-(N-benzyl-C-ethylcarbonimidoyl)-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of MixCom6_001805
Property Insights of MixCom6_001805
The XLogP value of 5.1934 indicates that MixCom6_001805 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 MixCom6_001805. Following Lipinski's Rule of Five, MixCom6_001805 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 MixCom6_001805?
The CAS number of MixCom6_001805 is 353763-47-0.
What is the molecular formula of MixCom6_001805?
The molecular formula of MixCom6_001805 is C21H17F3N4OS.
What is the molecular weight of MixCom6_001805?
The molecular weight of MixCom6_001805 is 430.11 g/mol.
Where can I buy MixCom6_001805?
You can request a quote for MixCom6_001805 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_001805?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_001805 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.