ChemDiv1_005775
TL;DR: ChemDiv1_005775 (CAS 351162-63-5) is a chemical compound with molecular formula C18H22N4OS and molecular weight 342.15 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-methyl-N-propylcarbonimidoyl)-5-propyl-1H-pyrazol-3-one
Also Known As: ChemDiv1_005775, (4E)-2-(1,3-benzothiazol-2-yl)-5-propyl-4-[1-(propylamino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-5-propyl-4-[1-(propylamino)ethylidene]pyrazol-3-one, (E)-1-(benzo[d]thiazol-2-yl)-3-propyl-4-(1-(propylamino)ethylidene)-1H-pyrazol-5(4H)-one, 2-(1,3-benzothiazol-2-yl)-4-(C-methyl-N-propylcarbonimidoyl)-5-propyl-1H-pyrazol-3-one
| Molecular Formula | C18H22N4OS |
|---|---|
| Molecular Weight | 342.15 g/mol |
| LogP | 3.9468 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.15143 |
| Heavy Atoms | 24 |
| Complexity | 899.04156 |
Chemical Identifiers
| CAS Number | 351162-63-5 |
|---|---|
| SMILES | CCCC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C(=NCCC)C |
Product Overview
ChemDiv1_005775 (CAS 351162-63-5), with molecular formula C18H22N4OS and molecular weight 342.15 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-(C-methyl-N-propylcarbonimidoyl)-5-propyl-1H-pyrazol-3-one.
Chemical Property Profile of ChemDiv1_005775
Property Insights of ChemDiv1_005775
The XLogP value of 3.9468 indicates that ChemDiv1_005775 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_005775. Following Lipinski's Rule of Five, ChemDiv1_005775 has 1 hydrogen bond donor(s) and 4 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 ChemDiv1_005775?
The CAS number of ChemDiv1_005775 is 351162-63-5.
What is the molecular formula of ChemDiv1_005775?
The molecular formula of ChemDiv1_005775 is C18H22N4OS.
What is the molecular weight of ChemDiv1_005775?
The molecular weight of ChemDiv1_005775 is 342.15 g/mol.
Where can I buy ChemDiv1_005775?
You can request a quote for ChemDiv1_005775 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005775?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005775 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.