ChemDiv1_005731
TL;DR: ChemDiv1_005731 (CAS 351162-59-9) is a chemical compound with molecular formula C21H19FN4OS and molecular weight 394.13 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-fluorophenyl)-C-methylcarbonimidoyl]-5-propyl-1H-pyrazol-3-one
Also Known As: ChemDiv1_005731, (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(3-fluorophenyl)amino]ethylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one, (E)-1-(benzo[d]thiazol-2-yl)-4-(1-((3-fluorophenyl)amino)ethylidene)-3-propyl-1H-pyrazol-5(4H)-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(3-fluoroanilino)ethylidene]-5-propylpyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-4-[1-(3-fluoroanilino)ethylidene]-5-propylpyrazol-3-one
| Molecular Formula | C21H19FN4OS |
|---|---|
| Molecular Weight | 394.13 g/mol |
| LogP | 5.0076 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.12637 |
| Heavy Atoms | 28 |
| Complexity | 1201.6683 |
Chemical Identifiers
| CAS Number | 351162-59-9 |
|---|---|
| SMILES | CCCC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C(=NC4=CC(=CC=C4)F)C |
Product Overview
ChemDiv1_005731 (CAS 351162-59-9), with molecular formula C21H19FN4OS and molecular weight 394.13 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-5-propyl-1H-pyrazol-3-one.
Chemical Property Profile of ChemDiv1_005731
Property Insights of ChemDiv1_005731
The XLogP value of 5.0076 indicates that ChemDiv1_005731 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 ChemDiv1_005731. Following Lipinski's Rule of Five, ChemDiv1_005731 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 ChemDiv1_005731?
The CAS number of ChemDiv1_005731 is 351162-59-9.
What is the molecular formula of ChemDiv1_005731?
The molecular formula of ChemDiv1_005731 is C21H19FN4OS.
What is the molecular weight of ChemDiv1_005731?
The molecular weight of ChemDiv1_005731 is 394.13 g/mol.
Where can I buy ChemDiv1_005731?
You can request a quote for ChemDiv1_005731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005731?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.