2-(1,3-Benzothiazol-2-yl)-4-(dimethylaminomethylene)-5-propyl-pyrazol-3-one
TL;DR: 2-(1,3-Benzothiazol-2-yl)-4-(dimethylaminomethylene)-5-propyl-pyrazol-3-one (CAS 332897-79-7) is a chemical compound with molecular formula C16H18N4OS and molecular weight 314.12 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-(dimethylaminomethylidene)-5-propylpyrazol-3-one
Also Known As: ChemDiv3_001631, BAS 01095385, 2-(1,3-benzothiazol-2-yl)-4-(dimethylaminomethylidene)-5-propylpyrazol-3-one, 1-(Benzo[d]thiazol-2-yl)-4-((dimethylamino)methylene)-3-propyl-1H-pyrazol-5(4H)-one, 2-(1,3-benzothiazol-2-yl)-4-(dimethylaminomethylene)-5-propyl-pyrazol-3-one
| Molecular Formula | C16H18N4OS |
|---|---|
| Molecular Weight | 314.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.12012 |
| Heavy Atoms | 22 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 332897-79-7 |
|---|---|
| SMILES | CCCC1=NN(C(=O)C1=CN(C)C)C2=NC3=CC=CC=C3S2 |
| InChIKey | FNRWHPSTRSFCCL-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzothiazol-2-yl)-4-(dimethylaminomethylene)-5-propyl-pyrazol-3-one (CAS 332897-79-7), with molecular formula C16H18N4OS and molecular weight 314.12 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-(dimethylaminomethylidene)-5-propylpyrazol-3-one.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-yl)-4-(dimethylaminomethylene)-5-propyl-pyrazol-3-one
Property Insights of 2-(1,3-Benzothiazol-2-yl)-4-(dimethylaminomethylene)-5-propyl-pyrazol-3-one
The XLogP value of 3.3 indicates that 2-(1,3-Benzothiazol-2-yl)-4-(dimethylaminomethylene)-5-propyl-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzothiazol-2-yl)-4-(dimethylaminomethylene)-5-propyl-pyrazol-3-one. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-yl)-4-(dimethylaminomethylene)-5-propyl-pyrazol-3-one has 0 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 2-(1,3-Benzothiazol-2-yl)-4-(dimethylaminomethylene)-5-propyl-pyrazol-3-one?
The CAS number of 2-(1,3-Benzothiazol-2-yl)-4-(dimethylaminomethylene)-5-propyl-pyrazol-3-one is 332897-79-7.
What is the molecular formula of 2-(1,3-Benzothiazol-2-yl)-4-(dimethylaminomethylene)-5-propyl-pyrazol-3-one?
The molecular formula of 2-(1,3-Benzothiazol-2-yl)-4-(dimethylaminomethylene)-5-propyl-pyrazol-3-one is C16H18N4OS.
What is the molecular weight of 2-(1,3-Benzothiazol-2-yl)-4-(dimethylaminomethylene)-5-propyl-pyrazol-3-one?
The molecular weight of 2-(1,3-Benzothiazol-2-yl)-4-(dimethylaminomethylene)-5-propyl-pyrazol-3-one is 314.12 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-yl)-4-(dimethylaminomethylene)-5-propyl-pyrazol-3-one?
You can request a quote for 2-(1,3-Benzothiazol-2-yl)-4-(dimethylaminomethylene)-5-propyl-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzothiazol-2-yl)-4-(dimethylaminomethylene)-5-propyl-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-yl)-4-(dimethylaminomethylene)-5-propyl-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.