3-(3-hydroxyoctyl)-4-phenyl-1H-1,2,4-triazole-5-thione
TL;DR: 3-(3-hydroxyoctyl)-4-phenyl-1H-1,2,4-triazole-5-thione (CAS 339067-35-5) is a chemical compound with molecular formula C16H23N3OS and molecular weight 305.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-hydroxyoctyl)-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: BAS 00333918, 3-(3-hydroxyoctyl)-4-phenyl-1H-1,2,4-triazole-5-thione, 1-(5-Mercapto-4-phenyl-4H-[1,2,4]triazol-3-yl)-octan-3-ol, 1-(4-phenyl-5-sulfanyl-1,2,4-triazol-3-yl)octan-3-ol, 3-(3-oxidanyloctyl)-4-phenyl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C16H23N3OS |
|---|---|
| Molecular Weight | 305.16 g/mol |
| LogP | 3.80369 |
| Topological Polar Surface Area | 53.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 305.1562 |
| Heavy Atoms | 21 |
| Complexity | 591.0696 |
Chemical Identifiers
| CAS Number | 339067-35-5 |
|---|---|
| SMILES | CCCCCC(CCC1=NNC(=S)N1C2=CC=CC=C2)O |
Product Overview
3-(3-hydroxyoctyl)-4-phenyl-1H-1,2,4-triazole-5-thione (CAS 339067-35-5), with molecular formula C16H23N3OS and molecular weight 305.16 g/mol. IUPAC: 3-(3-hydroxyoctyl)-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(3-hydroxyoctyl)-4-phenyl-1H-1,2,4-triazole-5-thione
Property Insights of 3-(3-hydroxyoctyl)-4-phenyl-1H-1,2,4-triazole-5-thione
The XLogP value of 3.80369 indicates that 3-(3-hydroxyoctyl)-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-hydroxyoctyl)-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-hydroxyoctyl)-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-hydroxyoctyl)-4-phenyl-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(3-hydroxyoctyl)-4-phenyl-1H-1,2,4-triazole-5-thione is 339067-35-5.
What is the molecular formula of 3-(3-hydroxyoctyl)-4-phenyl-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(3-hydroxyoctyl)-4-phenyl-1H-1,2,4-triazole-5-thione is C16H23N3OS.
What is the molecular weight of 3-(3-hydroxyoctyl)-4-phenyl-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(3-hydroxyoctyl)-4-phenyl-1H-1,2,4-triazole-5-thione is 305.16 g/mol.
Where can I buy 3-(3-hydroxyoctyl)-4-phenyl-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(3-hydroxyoctyl)-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-hydroxyoctyl)-4-phenyl-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-hydroxyoctyl)-4-phenyl-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.