3-butylsulfanyl-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole
TL;DR: 3-butylsulfanyl-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole (CAS 6128-66-1) is a chemical compound with molecular formula C14H19N3O2S and molecular weight 293.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butylsulfanyl-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole
Also Known As: 3-butylsulfanyl-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole, 3-(Butylsulfanyl)-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole
| Molecular Formula | C14H19N3O2S |
|---|---|
| Molecular Weight | 293.12 g/mol |
| LogP | 3.3811 |
| Topological Polar Surface Area | 60.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 293.1198 |
| Heavy Atoms | 20 |
| Complexity | 557.1021 |
Chemical Identifiers
| CAS Number | 6128-66-1 |
|---|---|
| SMILES | CCCCSC1=NNC(=N1)C2=CC(=C(C=C2)OC)OC |
Product Overview
3-butylsulfanyl-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole (CAS 6128-66-1), with molecular formula C14H19N3O2S and molecular weight 293.12 g/mol. IUPAC: 3-butylsulfanyl-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole.
Chemical Property Profile of 3-butylsulfanyl-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole
Property Insights of 3-butylsulfanyl-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole
The XLogP value of 3.3811 indicates that 3-butylsulfanyl-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-butylsulfanyl-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole. Following Lipinski's Rule of Five, 3-butylsulfanyl-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole 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-butylsulfanyl-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole?
The CAS number of 3-butylsulfanyl-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole is 6128-66-1.
What is the molecular formula of 3-butylsulfanyl-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole?
The molecular formula of 3-butylsulfanyl-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole is C14H19N3O2S.
What is the molecular weight of 3-butylsulfanyl-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole?
The molecular weight of 3-butylsulfanyl-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole is 293.12 g/mol.
Where can I buy 3-butylsulfanyl-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole?
You can request a quote for 3-butylsulfanyl-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-butylsulfanyl-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-butylsulfanyl-5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.