![3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-4-amine structure](/static/products/6781/678189-72-5.webp)
3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-4-amine
TL;DR: 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-4-amine (CAS 678189-72-5) is a chemical compound with molecular formula C18H18N6OS and molecular weight 366.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(3-ethoxyphenyl)-1,2,4-triazol-4-amine
Also Known As: 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-4-amine, 3-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-4-amine, 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(3-ethoxyphenyl)-1,2,4-triazol-4-amine, 3-(1H-benzoimidazol-2-ylmethylsulfanyl)-5-(3-ethoxyphenyl)-1,2,4-triazol-4-amine, 3-(benzimidazol-2-ylmethylthio)-5-(3-ethoxyphenyl)-1,2,4-triazole-4-ylamine
| Molecular Formula | C18H18N6OS |
|---|---|
| Molecular Weight | 366.13 g/mol |
| LogP | 3.2262 |
| Topological Polar Surface Area | 94.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.12628 |
| Heavy Atoms | 26 |
| Complexity | 1008.032 |
Chemical Identifiers
| CAS Number | 678189-72-5 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C2=NN=C(N2N)SCC3=NC4=CC=CC=C4N3 |
Product Overview
3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-4-amine (CAS 678189-72-5), with molecular formula C18H18N6OS and molecular weight 366.13 g/mol. IUPAC: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(3-ethoxyphenyl)-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-4-amine
Property Insights of 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-4-amine
The XLogP value of 3.2262 indicates that 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-4-amine has 2 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-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-4-amine?
The CAS number of 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-4-amine is 678189-72-5.
What is the molecular formula of 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-4-amine is C18H18N6OS.
What is the molecular weight of 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-4-amine is 366.13 g/mol.
Where can I buy 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.