4-Amino-3-(3,5-diphenylpyrazolyl)-1,2,4-triazoline-5-thione
TL;DR: 4-Amino-3-(3,5-diphenylpyrazolyl)-1,2,4-triazoline-5-thione (CAS 392315-50-3) is a chemical compound with molecular formula C17H14N6S and molecular weight 334.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-(3,5-diphenylpyrazol-1-yl)-1H-1,2,4-triazole-5-thione
Also Known As: BAS 04297524, BIM-0043089.P001, 4-amino-3-(3,5-diphenylpyrazolyl)-1,2,4-triazoline-5-thione, 4-amino-3-(3,5-diphenylpyrazol-1-yl)-1H-1,2,4-triazole-5-thione, 4-amino-5-(3,5-diphenyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C17H14N6S |
|---|---|
| Molecular Weight | 334.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.10007 |
| Heavy Atoms | 24 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 392315-50-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=NN2C3=NNC(=S)N3N)C4=CC=CC=C4 |
| InChIKey | MDUJDGVXXBFONW-UHFFFAOYSA-N |
Product Overview
4-Amino-3-(3,5-diphenylpyrazolyl)-1,2,4-triazoline-5-thione (CAS 392315-50-3), with molecular formula C17H14N6S and molecular weight 334.10 g/mol. IUPAC: 4-amino-3-(3,5-diphenylpyrazol-1-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-Amino-3-(3,5-diphenylpyrazolyl)-1,2,4-triazoline-5-thione
Property Insights of 4-Amino-3-(3,5-diphenylpyrazolyl)-1,2,4-triazoline-5-thione
The XLogP value of 3.0 indicates that 4-Amino-3-(3,5-diphenylpyrazolyl)-1,2,4-triazoline-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-3-(3,5-diphenylpyrazolyl)-1,2,4-triazoline-5-thione. Following Lipinski's Rule of Five, 4-Amino-3-(3,5-diphenylpyrazolyl)-1,2,4-triazoline-5-thione 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 4-Amino-3-(3,5-diphenylpyrazolyl)-1,2,4-triazoline-5-thione?
The CAS number of 4-Amino-3-(3,5-diphenylpyrazolyl)-1,2,4-triazoline-5-thione is 392315-50-3.
What is the molecular formula of 4-Amino-3-(3,5-diphenylpyrazolyl)-1,2,4-triazoline-5-thione?
The molecular formula of 4-Amino-3-(3,5-diphenylpyrazolyl)-1,2,4-triazoline-5-thione is C17H14N6S.
What is the molecular weight of 4-Amino-3-(3,5-diphenylpyrazolyl)-1,2,4-triazoline-5-thione?
The molecular weight of 4-Amino-3-(3,5-diphenylpyrazolyl)-1,2,4-triazoline-5-thione is 334.10 g/mol.
Where can I buy 4-Amino-3-(3,5-diphenylpyrazolyl)-1,2,4-triazoline-5-thione?
You can request a quote for 4-Amino-3-(3,5-diphenylpyrazolyl)-1,2,4-triazoline-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-3-(3,5-diphenylpyrazolyl)-1,2,4-triazoline-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3-(3,5-diphenylpyrazolyl)-1,2,4-triazoline-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.