1-(4-cyclohexyl-5-mercapto-4H-1,2,4-triazol-3-yl)octan-3-ol
TL;DR: 1-(4-cyclohexyl-5-mercapto-4H-1,2,4-triazol-3-yl)octan-3-ol (CAS 371221-36-2) is a chemical compound with molecular formula C16H29N3OS and molecular weight 311.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyclohexyl-3-(3-hydroxyoctyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-cyclohexyl-3-(3-hydroxyoctyl)-1H-1,2,4-triazole-5-thione, 4-cyclohexyl-5-(3-hydroxyoctyl)-2H-1,2,4-triazole-3-thione, 1-(4-cyclohexyl-5-mercapto-4H-1,2,4-triazol-3-yl)octan-3-ol
| Molecular Formula | C16H29N3OS |
|---|---|
| Molecular Weight | 311.20 g/mol |
| LogP | 4.31969 |
| Topological Polar Surface Area | 53.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 311.20312 |
| Heavy Atoms | 21 |
| Complexity | 462.3323 |
Chemical Identifiers
| CAS Number | 371221-36-2 |
|---|---|
| SMILES | CCCCCC(CCC1=NNC(=S)N1C2CCCCC2)O |
Product Overview
1-(4-cyclohexyl-5-mercapto-4H-1,2,4-triazol-3-yl)octan-3-ol (CAS 371221-36-2), with molecular formula C16H29N3OS and molecular weight 311.20 g/mol. IUPAC: 4-cyclohexyl-3-(3-hydroxyoctyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 1-(4-cyclohexyl-5-mercapto-4H-1,2,4-triazol-3-yl)octan-3-ol
Property Insights of 1-(4-cyclohexyl-5-mercapto-4H-1,2,4-triazol-3-yl)octan-3-ol
The XLogP value of 4.31969 indicates that 1-(4-cyclohexyl-5-mercapto-4H-1,2,4-triazol-3-yl)octan-3-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.84 Ų, 1-(4-cyclohexyl-5-mercapto-4H-1,2,4-triazol-3-yl)octan-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-cyclohexyl-5-mercapto-4H-1,2,4-triazol-3-yl)octan-3-ol 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 1-(4-cyclohexyl-5-mercapto-4H-1,2,4-triazol-3-yl)octan-3-ol?
The CAS number of 1-(4-cyclohexyl-5-mercapto-4H-1,2,4-triazol-3-yl)octan-3-ol is 371221-36-2.
What is the molecular formula of 1-(4-cyclohexyl-5-mercapto-4H-1,2,4-triazol-3-yl)octan-3-ol?
The molecular formula of 1-(4-cyclohexyl-5-mercapto-4H-1,2,4-triazol-3-yl)octan-3-ol is C16H29N3OS.
What is the molecular weight of 1-(4-cyclohexyl-5-mercapto-4H-1,2,4-triazol-3-yl)octan-3-ol?
The molecular weight of 1-(4-cyclohexyl-5-mercapto-4H-1,2,4-triazol-3-yl)octan-3-ol is 311.20 g/mol.
Where can I buy 1-(4-cyclohexyl-5-mercapto-4H-1,2,4-triazol-3-yl)octan-3-ol?
You can request a quote for 1-(4-cyclohexyl-5-mercapto-4H-1,2,4-triazol-3-yl)octan-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-cyclohexyl-5-mercapto-4H-1,2,4-triazol-3-yl)octan-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-cyclohexyl-5-mercapto-4H-1,2,4-triazol-3-yl)octan-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.