Pyrazole, 4-(dimethylamino)-1-methyl-5-phenyl-, sulfate
TL;DR: Pyrazole, 4-(dimethylamino)-1-methyl-5-phenyl-, sulfate (CAS 91857-52-2) is a chemical compound with molecular formula C12H17N3O4S and molecular weight 299.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sulfuric acid;N,N,1-trimethyl-5-phenylpyrazol-4-amine
Also Known As: Pyrazole, 4-(dimethylamino)-1-methyl-5-phenyl-, sulfate, 4-(Dimethylamino)-1-methyl-5-phenylpyrazole sulfate, 1H-Pyrazol-4-amine, 5-phenyl-N,N,1-trimethyl-, sulfate (1:1), sulfuric acid; N,N,1-trimethyl-5-phenylpyrazol-4-amine, IUPAC: Sulfuric Acid; N,N,1-trimethyl-5-phenyl-pyrazol-4-amine
| Molecular Formula | C12H17N3O4S |
|---|---|
| Molecular Weight | 299.09 g/mol |
| LogP | 1.5003 |
| Topological Polar Surface Area | 95.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.09396 |
| Heavy Atoms | 20 |
| Complexity | 642.59686 |
Chemical Identifiers
| CAS Number | 91857-52-2 |
|---|---|
| SMILES | CN1C(=C(C=N1)N(C)C)C2=CC=CC=C2.OS(=O)(=O)O |
Product Overview
Pyrazole, 4-(dimethylamino)-1-methyl-5-phenyl-, sulfate (CAS 91857-52-2), with molecular formula C12H17N3O4S and molecular weight 299.09 g/mol. IUPAC: sulfuric acid;N,N,1-trimethyl-5-phenylpyrazol-4-amine.
Chemical Property Profile of Pyrazole, 4-(dimethylamino)-1-methyl-5-phenyl-, sulfate
Property Insights of Pyrazole, 4-(dimethylamino)-1-methyl-5-phenyl-, sulfate
The XLogP value of 1.5003 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazole, 4-(dimethylamino)-1-methyl-5-phenyl-, sulfate. The TPSA of 95.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrazole, 4-(dimethylamino)-1-methyl-5-phenyl-, sulfate. Following Lipinski's Rule of Five, Pyrazole, 4-(dimethylamino)-1-methyl-5-phenyl-, sulfate 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
Frequently Asked Questions
What is the CAS number of Pyrazole, 4-(dimethylamino)-1-methyl-5-phenyl-, sulfate?
The CAS number of Pyrazole, 4-(dimethylamino)-1-methyl-5-phenyl-, sulfate is 91857-52-2.
What is the molecular formula of Pyrazole, 4-(dimethylamino)-1-methyl-5-phenyl-, sulfate?
The molecular formula of Pyrazole, 4-(dimethylamino)-1-methyl-5-phenyl-, sulfate is C12H17N3O4S.
What is the molecular weight of Pyrazole, 4-(dimethylamino)-1-methyl-5-phenyl-, sulfate?
The molecular weight of Pyrazole, 4-(dimethylamino)-1-methyl-5-phenyl-, sulfate is 299.09 g/mol.
Where can I buy Pyrazole, 4-(dimethylamino)-1-methyl-5-phenyl-, sulfate?
You can request a quote for Pyrazole, 4-(dimethylamino)-1-methyl-5-phenyl-, sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrazole, 4-(dimethylamino)-1-methyl-5-phenyl-, sulfate?
Yes, KEHONG BIO provides custom synthesis services for Pyrazole, 4-(dimethylamino)-1-methyl-5-phenyl-, sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.