3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,2,4-triazol-4-amine
TL;DR: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,2,4-triazol-4-amine (CAS 116859-55-3) is a chemical compound with molecular formula C14H12N6OS and molecular weight 312.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,2,4-triazol-4-amine
Also Known As: AB00115820-01, 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,2,4-triazol-4-amine, 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(furan-2-yl)-4H-1,2,4-triazol-4-amine, 5-(benzimidazol-2-ylmethylthio)-3-(2-furyl)-1,2,4-triazole-4-ylamine, 3-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-5-(furan-2-yl)-4H-1,2,4-triazol-4-amine
| Molecular Formula | C14H12N6OS |
|---|---|
| Molecular Weight | 312.08 g/mol |
| LogP | 2.4205 |
| Topological Polar Surface Area | 98.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.0793 |
| Heavy Atoms | 22 |
| Complexity | 877.621 |
Chemical Identifiers
| CAS Number | 116859-55-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(N3N)C4=CC=CO4 |
Product Overview
3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,2,4-triazol-4-amine (CAS 116859-55-3), with molecular formula C14H12N6OS and molecular weight 312.08 g/mol. IUPAC: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,2,4-triazol-4-amine
Property Insights of 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,2,4-triazol-4-amine
The XLogP value of 2.4205 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,2,4-triazol-4-amine. The TPSA of 98.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-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-ylmethylsulfanyl)-5-(furan-2-yl)-1,2,4-triazol-4-amine?
The CAS number of 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,2,4-triazol-4-amine is 116859-55-3.
What is the molecular formula of 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,2,4-triazol-4-amine?
The molecular formula of 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,2,4-triazol-4-amine is C14H12N6OS.
What is the molecular weight of 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,2,4-triazol-4-amine?
The molecular weight of 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,2,4-triazol-4-amine is 312.08 g/mol.
Where can I buy 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,2,4-triazol-4-amine?
You can request a quote for 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-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-ylmethylsulfanyl)-5-(furan-2-yl)-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.