![4-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-1-(3-methyl-butoxy)-butan-2-ol structure](/static/products/327/327170-25-2.png)
4-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-1-(3-methyl-butoxy)-butan-2-ol
TL;DR: 4-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-1-(3-methyl-butoxy)-butan-2-ol (CAS 327170-25-2) is a chemical compound with molecular formula C14H25N3O2S and molecular weight 299.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-hydroxy-4-(3-methylbutoxy)butyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: BAS 02789502, 1-(3-methylbutoxy)-4-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]butan-2-ol, 4-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-1-(3-methyl-butoxy)-butan-2-ol, 4-(4-allyl-5-mercapto-4H-1,2,4-triazol-3-yl)-1-(isopentyloxy)butan-2-ol, 1-(3-methylbutoxy)-4-(4-prop-2-enyl-5-sulfanyl(1,2,4-triazol-3-yl))butan-2-ol
| Molecular Formula | C14H25N3O2S |
|---|---|
| Molecular Weight | 299.17 g/mol |
| LogP | 2.48289 |
| Topological Polar Surface Area | 63.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 299.16675 |
| Heavy Atoms | 20 |
| Complexity | 453.51663 |
Chemical Identifiers
| CAS Number | 327170-25-2 |
|---|---|
| SMILES | CC(C)CCOCC(CCC1=NNC(=S)N1CC=C)O |
Product Overview
4-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-1-(3-methyl-butoxy)-butan-2-ol (CAS 327170-25-2), with molecular formula C14H25N3O2S and molecular weight 299.17 g/mol. IUPAC: 3-[3-hydroxy-4-(3-methylbutoxy)butyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-1-(3-methyl-butoxy)-butan-2-ol
Property Insights of 4-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-1-(3-methyl-butoxy)-butan-2-ol
The XLogP value of 2.48289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-1-(3-methyl-butoxy)-butan-2-ol. The TPSA of 63.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-1-(3-methyl-butoxy)-butan-2-ol. Following Lipinski's Rule of Five, 4-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-1-(3-methyl-butoxy)-butan-2-ol 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-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-1-(3-methyl-butoxy)-butan-2-ol?
The CAS number of 4-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-1-(3-methyl-butoxy)-butan-2-ol is 327170-25-2.
What is the molecular formula of 4-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-1-(3-methyl-butoxy)-butan-2-ol?
The molecular formula of 4-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-1-(3-methyl-butoxy)-butan-2-ol is C14H25N3O2S.
What is the molecular weight of 4-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-1-(3-methyl-butoxy)-butan-2-ol?
The molecular weight of 4-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-1-(3-methyl-butoxy)-butan-2-ol is 299.17 g/mol.
Where can I buy 4-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-1-(3-methyl-butoxy)-butan-2-ol?
You can request a quote for 4-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-1-(3-methyl-butoxy)-butan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-1-(3-methyl-butoxy)-butan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-1-(3-methyl-butoxy)-butan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.