3-(3-hydroxynonyl)-4-phenyl-1H-1,2,4-triazole-5-thione
TL;DR: 3-(3-hydroxynonyl)-4-phenyl-1H-1,2,4-triazole-5-thione (CAS 334506-45-5) is a chemical compound with molecular formula C17H25N3OS and molecular weight 319.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-hydroxynonyl)-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: BAS 01076755, 3-(3-hydroxynonyl)-4-phenyl-1H-1,2,4-triazole-5-thione, AB00096632-01, 1-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)nonan-3-ol, 1-(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)nonan-3-ol
| Molecular Formula | C17H25N3OS |
|---|---|
| Molecular Weight | 319.17 g/mol |
| LogP | 4.19379 |
| Topological Polar Surface Area | 53.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 319.17184 |
| Heavy Atoms | 22 |
| Complexity | 605.86664 |
Chemical Identifiers
| CAS Number | 334506-45-5 |
|---|---|
| SMILES | CCCCCCC(CCC1=NNC(=S)N1C2=CC=CC=C2)O |
Product Overview
3-(3-hydroxynonyl)-4-phenyl-1H-1,2,4-triazole-5-thione (CAS 334506-45-5), with molecular formula C17H25N3OS and molecular weight 319.17 g/mol. IUPAC: 3-(3-hydroxynonyl)-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(3-hydroxynonyl)-4-phenyl-1H-1,2,4-triazole-5-thione
Property Insights of 3-(3-hydroxynonyl)-4-phenyl-1H-1,2,4-triazole-5-thione
The XLogP value of 4.19379 indicates that 3-(3-hydroxynonyl)-4-phenyl-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.84 Ų, 3-(3-hydroxynonyl)-4-phenyl-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-hydroxynonyl)-4-phenyl-1H-1,2,4-triazole-5-thione has 2 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 3-(3-hydroxynonyl)-4-phenyl-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(3-hydroxynonyl)-4-phenyl-1H-1,2,4-triazole-5-thione is 334506-45-5.
What is the molecular formula of 3-(3-hydroxynonyl)-4-phenyl-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(3-hydroxynonyl)-4-phenyl-1H-1,2,4-triazole-5-thione is C17H25N3OS.
What is the molecular weight of 3-(3-hydroxynonyl)-4-phenyl-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(3-hydroxynonyl)-4-phenyl-1H-1,2,4-triazole-5-thione is 319.17 g/mol.
Where can I buy 3-(3-hydroxynonyl)-4-phenyl-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(3-hydroxynonyl)-4-phenyl-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-hydroxynonyl)-4-phenyl-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-hydroxynonyl)-4-phenyl-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.