![(3-Benzylsulfanyl-[1,2,4]triazol-4-yl)-(3,4-dimethoxy-benzylidene)-amine structure](/static/products/5807/5807-83-0.webp)
(3-Benzylsulfanyl-[1,2,4]triazol-4-yl)-(3,4-dimethoxy-benzylidene)-amine
TL;DR: (3-Benzylsulfanyl-[1,2,4]triazol-4-yl)-(3,4-dimethoxy-benzylidene)-amine (CAS 5807-83-0) is a chemical compound with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(3,4-dimethoxyphenyl)methanimine
Also Known As: BIM-0031023.P001, (3-Benzylsulfanyl-[1,2,4]triazol-4-yl)-(3,4-dimethoxy-benzylidene)-amine, (E)-N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(3,4-dimethoxyphenyl)methanimine, (E)-N-[3-(BENZYLSULFANYL)-4H-1,2,4-TRIAZOL-4-YL]-1-(3,4-DIMETHOXYPHENYL)METHANIMINE, 3-(benzylsulfanyl)-N-(3,4-dimethoxybenzylidene)-4H-1,2,4-triazol-4-amine
| Molecular Formula | C18H18N4O2S |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 3.4698 |
| Topological Polar Surface Area | 61.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 354.11505 |
| Heavy Atoms | 25 |
| Complexity | 849.29224 |
Chemical Identifiers
| CAS Number | 5807-83-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=N/N2C=NN=C2SCC3=CC=CC=C3)OC |
Product Overview
(3-Benzylsulfanyl-[1,2,4]triazol-4-yl)-(3,4-dimethoxy-benzylidene)-amine (CAS 5807-83-0), with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol. IUPAC: (E)-N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(3,4-dimethoxyphenyl)methanimine.
Chemical Property Profile of (3-Benzylsulfanyl-[1,2,4]triazol-4-yl)-(3,4-dimethoxy-benzylidene)-amine
Property Insights of (3-Benzylsulfanyl-[1,2,4]triazol-4-yl)-(3,4-dimethoxy-benzylidene)-amine
The XLogP value of 3.4698 indicates that (3-Benzylsulfanyl-[1,2,4]triazol-4-yl)-(3,4-dimethoxy-benzylidene)-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.53 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Benzylsulfanyl-[1,2,4]triazol-4-yl)-(3,4-dimethoxy-benzylidene)-amine. Following Lipinski's Rule of Five, (3-Benzylsulfanyl-[1,2,4]triazol-4-yl)-(3,4-dimethoxy-benzylidene)-amine has 0 hydrogen bond donor(s) and 6 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-Benzylsulfanyl-[1,2,4]triazol-4-yl)-(3,4-dimethoxy-benzylidene)-amine?
The CAS number of (3-Benzylsulfanyl-[1,2,4]triazol-4-yl)-(3,4-dimethoxy-benzylidene)-amine is 5807-83-0.
What is the molecular formula of (3-Benzylsulfanyl-[1,2,4]triazol-4-yl)-(3,4-dimethoxy-benzylidene)-amine?
The molecular formula of (3-Benzylsulfanyl-[1,2,4]triazol-4-yl)-(3,4-dimethoxy-benzylidene)-amine is C18H18N4O2S.
What is the molecular weight of (3-Benzylsulfanyl-[1,2,4]triazol-4-yl)-(3,4-dimethoxy-benzylidene)-amine?
The molecular weight of (3-Benzylsulfanyl-[1,2,4]triazol-4-yl)-(3,4-dimethoxy-benzylidene)-amine is 354.12 g/mol.
Where can I buy (3-Benzylsulfanyl-[1,2,4]triazol-4-yl)-(3,4-dimethoxy-benzylidene)-amine?
You can request a quote for (3-Benzylsulfanyl-[1,2,4]triazol-4-yl)-(3,4-dimethoxy-benzylidene)-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Benzylsulfanyl-[1,2,4]triazol-4-yl)-(3,4-dimethoxy-benzylidene)-amine?
Yes, KEHONG BIO provides custom synthesis services for (3-Benzylsulfanyl-[1,2,4]triazol-4-yl)-(3,4-dimethoxy-benzylidene)-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.