2-(1,3-benzothiazol-2-ylsulfanyl)-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
TL;DR: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone (CAS 695175-03-2) is a chemical compound with molecular formula C18H15N3OS2 and molecular weight 353.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
Also Known As: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone, 2-benzothiazol-2-ylthio-1-(5-phenyl(2-pyrazolinyl))ethan-1-one, 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone, 2-(benzo[d]thiazol-2-ylthio)-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone, 2-(1,3-BENZOTHIAZOL-2-YLSULFANYL)-1-(5-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL)ETHAN-1-ONE
| Molecular Formula | C18H15N3OS2 |
|---|---|
| Molecular Weight | 353.07 g/mol |
| LogP | 4.3478 |
| Topological Polar Surface Area | 45.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.06564 |
| Heavy Atoms | 24 |
| Complexity | 858.43 |
Chemical Identifiers
| CAS Number | 695175-03-2 |
|---|---|
| SMILES | C1C=NN(C1C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4S3 |
Product Overview
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone (CAS 695175-03-2), with molecular formula C18H15N3OS2 and molecular weight 353.07 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone.
Chemical Property Profile of 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
Property Insights of 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
The XLogP value of 4.3478 indicates that 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.56 Ų, 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone 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-ylsulfanyl)-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone?
The CAS number of 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone is 695175-03-2.
What is the molecular formula of 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone?
The molecular formula of 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone is C18H15N3OS2.
What is the molecular weight of 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone?
The molecular weight of 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone is 353.07 g/mol.
Where can I buy 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone?
You can request a quote for 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone 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-ylsulfanyl)-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.