1-Phenyl-3-methyl-4-benzylthio-5-aminopyrazole
TL;DR: 1-Phenyl-3-methyl-4-benzylthio-5-aminopyrazole (CAS 32585-83-4) is a chemical compound with molecular formula C17H17N3S and molecular weight 295.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylsulfanyl-3-methyl-1-phenylpyrazol-5-amine
Also Known As: Aatp-II, 1-Phenyl-3-methyl-4-benzylthio-5-aminopyrazole, 4-benzylsulfanyl-5-methyl-2-phenylpyrazol-3-amine, 1-phenyl-3-methyl-4-benzylthio-5-amino-pyrazole, 1H-Pyrazol-5-amine, 3-methyl-1-phenyl-4-((phenylmethyl)thio)-
| Molecular Formula | C17H17N3S |
|---|---|
| Molecular Weight | 295.11 g/mol |
| LogP | 4.05522 |
| Topological Polar Surface Area | 43.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.11432 |
| Heavy Atoms | 21 |
| Complexity | 720.55096 |
Chemical Identifiers
| CAS Number | 32585-83-4 |
|---|---|
| SMILES | CC1=NN(C(=C1SCC2=CC=CC=C2)N)C3=CC=CC=C3 |
Product Overview
1-Phenyl-3-methyl-4-benzylthio-5-aminopyrazole (CAS 32585-83-4), with molecular formula C17H17N3S and molecular weight 295.11 g/mol. IUPAC: 4-benzylsulfanyl-3-methyl-1-phenylpyrazol-5-amine.
Chemical Property Profile of 1-Phenyl-3-methyl-4-benzylthio-5-aminopyrazole
Property Insights of 1-Phenyl-3-methyl-4-benzylthio-5-aminopyrazole
The XLogP value of 4.05522 indicates that 1-Phenyl-3-methyl-4-benzylthio-5-aminopyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.84 Ų, 1-Phenyl-3-methyl-4-benzylthio-5-aminopyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-3-methyl-4-benzylthio-5-aminopyrazole has 1 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 1-Phenyl-3-methyl-4-benzylthio-5-aminopyrazole?
The CAS number of 1-Phenyl-3-methyl-4-benzylthio-5-aminopyrazole is 32585-83-4.
What is the molecular formula of 1-Phenyl-3-methyl-4-benzylthio-5-aminopyrazole?
The molecular formula of 1-Phenyl-3-methyl-4-benzylthio-5-aminopyrazole is C17H17N3S.
What is the molecular weight of 1-Phenyl-3-methyl-4-benzylthio-5-aminopyrazole?
The molecular weight of 1-Phenyl-3-methyl-4-benzylthio-5-aminopyrazole is 295.11 g/mol.
Where can I buy 1-Phenyl-3-methyl-4-benzylthio-5-aminopyrazole?
You can request a quote for 1-Phenyl-3-methyl-4-benzylthio-5-aminopyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-3-methyl-4-benzylthio-5-aminopyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3-methyl-4-benzylthio-5-aminopyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.