3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-
TL;DR: 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)- (CAS 102689-17-8) is a chemical compound with molecular formula C16H20N2OS and molecular weight 288.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-dimethylthian-4-yl)-5-phenyl-4H-pyrazol-3-one
Also Known As: 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-, 2-(2,2-dimethylthian-4-yl)-5-phenyl-4H-pyrazol-3-one, 2,4-Dihydro-5-phenyl-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-3H-pyrazol-3-one, 1-(2,2-Dimethyltetrahydro-2H-thiopyran-4-yl)-3-phenyl-1H-pyrazol-5(4H)-one, 3H-Pyrazol-3-one,2,4-dihydro-5-phenyl-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-
| Molecular Formula | C16H20N2OS |
|---|---|
| Molecular Weight | 288.13 g/mol |
| LogP | 3.2972 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.12964 |
| Heavy Atoms | 20 |
| Complexity | 538.66766 |
Chemical Identifiers
| CAS Number | 102689-17-8 |
|---|---|
| SMILES | CC1(CC(CCS1)N2C(=O)CC(=N2)C3=CC=CC=C3)C |
Product Overview
3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)- (CAS 102689-17-8), with molecular formula C16H20N2OS and molecular weight 288.13 g/mol. IUPAC: 2-(2,2-dimethylthian-4-yl)-5-phenyl-4H-pyrazol-3-one.
Chemical Property Profile of 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-
Property Insights of 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-
The XLogP value of 3.2972 indicates that 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.67 Ų, 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)- has 0 hydrogen bond donor(s) and 3 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 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-?
The CAS number of 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)- is 102689-17-8.
What is the molecular formula of 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-?
The molecular formula of 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)- is C16H20N2OS.
What is the molecular weight of 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-?
The molecular weight of 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)- is 288.13 g/mol.
Where can I buy 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-?
You can request a quote for 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.