![3-[3-(3-chloro-1,2,4-triazol-1-yl)-1-adamantyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione structure](/static/products/1005/1005697-76-6.webp)
3-[3-(3-chloro-1,2,4-triazol-1-yl)-1-adamantyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione
TL;DR: 3-[3-(3-chloro-1,2,4-triazol-1-yl)-1-adamantyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione (CAS 1005697-76-6) is a chemical compound with molecular formula C20H25ClN8S and molecular weight 444.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(3-chloro-1,2,4-triazol-1-yl)-1-adamantyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 3-[3-(3-chloro-1,2,4-triazol-1-yl)-1-adamantyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione, 5-[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]-4-(1-ETHYL-5-METHYL-1H-PYRAZOL-4-YL)-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE, 5-[3-(3-chloro-1H-1,2,4-triazol-1-yl)-1-adamantyl]-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol, 5-[3-(3-chloro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl]-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C20H25ClN8S |
|---|---|
| Molecular Weight | 444.16 g/mol |
| LogP | 3.94671 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.16113 |
| Heavy Atoms | 30 |
| Complexity | 1171.7611 |
Chemical Identifiers
| CAS Number | 1005697-76-6 |
|---|---|
| SMILES | CCN1C(=C(C=N1)N2C(=NNC2=S)C34CC5CC(C3)CC(C5)(C4)N6C=NC(=N6)Cl)C |
Product Overview
3-[3-(3-chloro-1,2,4-triazol-1-yl)-1-adamantyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione (CAS 1005697-76-6), with molecular formula C20H25ClN8S and molecular weight 444.16 g/mol. IUPAC: 3-[3-(3-chloro-1,2,4-triazol-1-yl)-1-adamantyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-[3-(3-chloro-1,2,4-triazol-1-yl)-1-adamantyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione
Property Insights of 3-[3-(3-chloro-1,2,4-triazol-1-yl)-1-adamantyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione
The XLogP value of 3.94671 indicates that 3-[3-(3-chloro-1,2,4-triazol-1-yl)-1-adamantyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(3-chloro-1,2,4-triazol-1-yl)-1-adamantyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 3-[3-(3-chloro-1,2,4-triazol-1-yl)-1-adamantyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 5 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-(3-chloro-1,2,4-triazol-1-yl)-1-adamantyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione?
The CAS number of 3-[3-(3-chloro-1,2,4-triazol-1-yl)-1-adamantyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione is 1005697-76-6.
What is the molecular formula of 3-[3-(3-chloro-1,2,4-triazol-1-yl)-1-adamantyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-[3-(3-chloro-1,2,4-triazol-1-yl)-1-adamantyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione is C20H25ClN8S.
What is the molecular weight of 3-[3-(3-chloro-1,2,4-triazol-1-yl)-1-adamantyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-[3-(3-chloro-1,2,4-triazol-1-yl)-1-adamantyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione is 444.16 g/mol.
Where can I buy 3-[3-(3-chloro-1,2,4-triazol-1-yl)-1-adamantyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-[3-(3-chloro-1,2,4-triazol-1-yl)-1-adamantyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-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-(3-chloro-1,2,4-triazol-1-yl)-1-adamantyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(3-chloro-1,2,4-triazol-1-yl)-1-adamantyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.