Pyrazol-5(4H)-one, 1-(2-benzothiazolyl)-3-methyl-
TL;DR: Pyrazol-5(4H)-one, 1-(2-benzothiazolyl)-3-methyl- (CAS 17304-62-0) is a chemical compound with molecular formula C11H9N3OS and molecular weight 231.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-5-methyl-4H-pyrazol-3-one
Also Known As: Maybridge4_001908, Pyrazol-5(4H)-one, 1-(2-benzothiazolyl)-3-methyl-, BAS 01922003, 2-(1,3-benzothiazol-2-yl)-5-methyl-4H-pyrazol-3-one, 1-(2-Benzothiazolyl)-3-methyl-5-pyrazolone
| Molecular Formula | C11H9N3OS |
|---|---|
| Molecular Weight | 231.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.04663 |
| Heavy Atoms | 16 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 17304-62-0 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C2=NC3=CC=CC=C3S2 |
| InChIKey | YUHMNVVMEMQSHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrazol-5(4H)-one, 1-(2-benzothiazolyl)-3-methyl- (CAS 17304-62-0), with molecular formula C11H9N3OS and molecular weight 231.05 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-5-methyl-4H-pyrazol-3-one.
Chemical Property Profile of Pyrazol-5(4H)-one, 1-(2-benzothiazolyl)-3-methyl-
Property Insights of Pyrazol-5(4H)-one, 1-(2-benzothiazolyl)-3-methyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazol-5(4H)-one, 1-(2-benzothiazolyl)-3-methyl-. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrazol-5(4H)-one, 1-(2-benzothiazolyl)-3-methyl-. Following Lipinski's Rule of Five, Pyrazol-5(4H)-one, 1-(2-benzothiazolyl)-3-methyl- has 0 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 Pyrazol-5(4H)-one, 1-(2-benzothiazolyl)-3-methyl-?
The CAS number of Pyrazol-5(4H)-one, 1-(2-benzothiazolyl)-3-methyl- is 17304-62-0.
What is the molecular formula of Pyrazol-5(4H)-one, 1-(2-benzothiazolyl)-3-methyl-?
The molecular formula of Pyrazol-5(4H)-one, 1-(2-benzothiazolyl)-3-methyl- is C11H9N3OS.
What is the molecular weight of Pyrazol-5(4H)-one, 1-(2-benzothiazolyl)-3-methyl-?
The molecular weight of Pyrazol-5(4H)-one, 1-(2-benzothiazolyl)-3-methyl- is 231.05 g/mol.
Where can I buy Pyrazol-5(4H)-one, 1-(2-benzothiazolyl)-3-methyl-?
You can request a quote for Pyrazol-5(4H)-one, 1-(2-benzothiazolyl)-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrazol-5(4H)-one, 1-(2-benzothiazolyl)-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyrazol-5(4H)-one, 1-(2-benzothiazolyl)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.