![1-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]octan-3-ol structure](/static/products/353/353506-99-7.png)
1-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]octan-3-ol
TL;DR: 1-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]octan-3-ol (CAS 353506-99-7) is a chemical compound with molecular formula C13H23N3OS and molecular weight 269.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-hydroxyoctyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: AN-512/13417002, 1-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-octan-3-ol, 1-(4-allyl-5-mercapto-4H-1,2,4-triazol-3-yl)octan-3-ol, 1-(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-3-octanol, 1-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]octan-3-ol
| Molecular Formula | C13H23N3OS |
|---|---|
| Molecular Weight | 269.16 g/mol |
| LogP | 3.00049 |
| Topological Polar Surface Area | 53.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 269.1562 |
| Heavy Atoms | 18 |
| Complexity | 410.614 |
Chemical Identifiers
| CAS Number | 353506-99-7 |
|---|---|
| SMILES | CCCCCC(CCC1=NNC(=S)N1CC=C)O |
Product Overview
1-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]octan-3-ol (CAS 353506-99-7), with molecular formula C13H23N3OS and molecular weight 269.16 g/mol. IUPAC: 3-(3-hydroxyoctyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 1-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]octan-3-ol
Property Insights of 1-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]octan-3-ol
The XLogP value of 3.00049 indicates that 1-[4-(prop-2-en-1-yl)-5-sulfanyl-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-(prop-2-en-1-yl)-5-sulfanyl-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-(prop-2-en-1-yl)-5-sulfanyl-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-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]octan-3-ol?
The CAS number of 1-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]octan-3-ol is 353506-99-7.
What is the molecular formula of 1-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]octan-3-ol?
The molecular formula of 1-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]octan-3-ol is C13H23N3OS.
What is the molecular weight of 1-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]octan-3-ol?
The molecular weight of 1-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]octan-3-ol is 269.16 g/mol.
Where can I buy 1-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]octan-3-ol?
You can request a quote for 1-[4-(prop-2-en-1-yl)-5-sulfanyl-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-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]octan-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]octan-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.