3-(decylsulfanyl)-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole
TL;DR: 3-(decylsulfanyl)-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole (CAS 844454-05-3) is a chemical compound with molecular formula C20H31N3O2S and molecular weight 377.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-decylsulfanyl-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole
Also Known As: 3-decylsulfanyl-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole, 3-(decylsulfanyl)-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole, 5-(decylthio)-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole
| Molecular Formula | C20H31N3O2S |
|---|---|
| Molecular Weight | 377.21 g/mol |
| LogP | 5.7217 |
| Topological Polar Surface Area | 60.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 377.21368 |
| Heavy Atoms | 26 |
| Complexity | 645.7366 |
Chemical Identifiers
| CAS Number | 844454-05-3 |
|---|---|
| SMILES | CCCCCCCCCCSC1=NNC(=N1)C2=CC(=C(C=C2)OC)OC |
Product Overview
3-(decylsulfanyl)-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole (CAS 844454-05-3), with molecular formula C20H31N3O2S and molecular weight 377.21 g/mol. IUPAC: 3-decylsulfanyl-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole.
Chemical Property Profile of 3-(decylsulfanyl)-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole
Property Insights of 3-(decylsulfanyl)-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole
The XLogP value of 5.7217 indicates that 3-(decylsulfanyl)-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(decylsulfanyl)-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole. Following Lipinski's Rule of Five, 3-(decylsulfanyl)-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(decylsulfanyl)-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole?
The CAS number of 3-(decylsulfanyl)-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole is 844454-05-3.
What is the molecular formula of 3-(decylsulfanyl)-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole?
The molecular formula of 3-(decylsulfanyl)-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole is C20H31N3O2S.
What is the molecular weight of 3-(decylsulfanyl)-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole?
The molecular weight of 3-(decylsulfanyl)-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole is 377.21 g/mol.
Where can I buy 3-(decylsulfanyl)-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole?
You can request a quote for 3-(decylsulfanyl)-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(decylsulfanyl)-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(decylsulfanyl)-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.