1-Phenyl-4-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine
TL;DR: 1-Phenyl-4-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine (CAS 115596-51-5) is a chemical compound with molecular formula C16H22N4S and molecular weight 302.15652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2,2-dimethylthian-4-yl)-1-phenylpyrazole-3,5-diamine
Also Known As: 1-Phenyl-4-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine, 1H-Pyrazole-3,5-diamine, 1-phenyl-4-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-, 4-(2,2-dimethylthian-4-yl)-1-phenylpyrazole-3,5-diamine, 4-(2,2-Dimethylthian-4-yl)-1-phenyl-1H-pyrazole-3,5-diamine, BRN 5584756
Technical Specifications
| Molecular Formula | C16H22N4S |
| Molecular Weight | 302.15652 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.15652 Da |
| Heavy Atoms | 21 |
| Complexity | 356.0 |
| SMILES | CC1(CC(CCS1)C2=C(N(N=C2N)C3=CC=CC=C3)N)C |
| InChIKey | PODPNYCYWYQMQP-UHFFFAOYSA-N |
Chemical Property Profile of 1-Phenyl-4-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine
Property Insights of 1-Phenyl-4-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine
The XLogP value of 3.0 indicates that 1-Phenyl-4-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenyl-4-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine. Following Lipinski's Rule of Five, 1-Phenyl-4-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Phenyl-4-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine?
The CAS number of 1-Phenyl-4-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine is 115596-51-5.
What is the molecular formula of 1-Phenyl-4-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine?
The molecular formula of 1-Phenyl-4-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine is C16H22N4S.
What is the molecular weight of 1-Phenyl-4-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine?
The molecular weight of 1-Phenyl-4-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine is 302.15652 g/mol.
Where can I buy 1-Phenyl-4-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine?
You can request a quote for 1-Phenyl-4-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Phenyl-4-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine?
Yes, CoreyChem provides custom synthesis services for 1-Phenyl-4-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.