![5-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-1,2,4-triazole-3-thione structure](/static/products/2986/298686-65-4.webp)
5-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-1,2,4-triazole-3-thione
TL;DR: 5-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-1,2,4-triazole-3-thione (CAS 298686-65-4) is a chemical compound with molecular formula C18H24N4O2S and molecular weight 360.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-1,2,4-triazole-3-thione
Also Known As: 5-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-1,2,4-triazole-3-thione, 5-Benzyl-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 1,2,4-Triazole-5(4H)-thione, 3-benzyl-4-methyl-1-(1,4,8-dioxaza[4.5]dec-8-ylmethyl)-, 3-BENZYL-1-({1,4-DIOXA-8-AZASPIRO[4.5]DECAN-8-YL}METHYL)-4-METHYL-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE, 5-Benzyl-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione #
| Molecular Formula | C18H24N4O2S |
|---|---|
| Molecular Weight | 360.16 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.162 |
| Heavy Atoms | 25 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 298686-65-4 |
|---|---|
| SMILES | CN1C(=NN(C1=S)CN2CCC3(CC2)OCCO3)CC4=CC=CC=C4 |
| InChIKey | UDLOJODFIXFICH-UHFFFAOYSA-N |
Product Overview
5-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-1,2,4-triazole-3-thione (CAS 298686-65-4), with molecular formula C18H24N4O2S and molecular weight 360.16 g/mol. IUPAC: 5-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-1,2,4-triazole-3-thione.
Chemical Property Profile of 5-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-1,2,4-triazole-3-thione
Property Insights of 5-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-1,2,4-triazole-3-thione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-1,2,4-triazole-3-thione. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-1,2,4-triazole-3-thione. Following Lipinski's Rule of Five, 5-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-1,2,4-triazole-3-thione has 0 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 5-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-1,2,4-triazole-3-thione?
The CAS number of 5-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-1,2,4-triazole-3-thione is 298686-65-4.
What is the molecular formula of 5-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-1,2,4-triazole-3-thione?
The molecular formula of 5-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-1,2,4-triazole-3-thione is C18H24N4O2S.
What is the molecular weight of 5-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-1,2,4-triazole-3-thione?
The molecular weight of 5-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-1,2,4-triazole-3-thione is 360.16 g/mol.
Where can I buy 5-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-1,2,4-triazole-3-thione?
You can request a quote for 5-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.