3-(2-hydroxy-1-propoxyoctan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione
TL;DR: 3-(2-hydroxy-1-propoxyoctan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione (CAS 309270-75-5) is a chemical compound with molecular formula C19H29N3O2S and molecular weight 363.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxy-1-propoxyoctan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: BAS 01076756, 4-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-propoxyoctan-2-ol, A2067/0086952, 3-(2-hydroxy-1-propoxyoctan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione, 4-(5-Mercapto-4-phenyl-4H-[1,2,4]triazol-3-yl)-1-propoxy-octan-2-ol
| Molecular Formula | C19H29N3O2S |
|---|---|
| Molecular Weight | 363.20 g/mol |
| LogP | 4.38129 |
| Topological Polar Surface Area | 63.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 363.19806 |
| Heavy Atoms | 25 |
| Complexity | 668.8088 |
Chemical Identifiers
| CAS Number | 309270-75-5 |
|---|---|
| SMILES | CCCCC(CC(COCCC)O)C1=NNC(=S)N1C2=CC=CC=C2 |
Product Overview
3-(2-hydroxy-1-propoxyoctan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione (CAS 309270-75-5), with molecular formula C19H29N3O2S and molecular weight 363.20 g/mol. IUPAC: 3-(2-hydroxy-1-propoxyoctan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(2-hydroxy-1-propoxyoctan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione
Property Insights of 3-(2-hydroxy-1-propoxyoctan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione
The XLogP value of 4.38129 indicates that 3-(2-hydroxy-1-propoxyoctan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-hydroxy-1-propoxyoctan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 3-(2-hydroxy-1-propoxyoctan-4-yl)-4-phenyl-1H-1,2,4-triazole-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 3-(2-hydroxy-1-propoxyoctan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(2-hydroxy-1-propoxyoctan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione is 309270-75-5.
What is the molecular formula of 3-(2-hydroxy-1-propoxyoctan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(2-hydroxy-1-propoxyoctan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione is C19H29N3O2S.
What is the molecular weight of 3-(2-hydroxy-1-propoxyoctan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(2-hydroxy-1-propoxyoctan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione is 363.20 g/mol.
Where can I buy 3-(2-hydroxy-1-propoxyoctan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(2-hydroxy-1-propoxyoctan-4-yl)-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-(2-hydroxy-1-propoxyoctan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-hydroxy-1-propoxyoctan-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.