3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(3-bromophenyl)-1,2,4-triazol-4-amine
TL;DR: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(3-bromophenyl)-1,2,4-triazol-4-amine (CAS 378773-83-2) is a chemical compound with molecular formula C16H13BrN6S and molecular weight 400.01 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-bromophenyl)-1,2,4-triazol-4-amine
Also Known As: AB00116417-01, 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(3-bromophenyl)-1,2,4-triazol-4-amine, 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(3-bromophenyl)-4H-1,2,4-triazol-4-amine, 3-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-5-(3-bromophenyl)-4H-1,2,4-triazol-4-amine, 3-[(1H-1,3-BENZODIAZOL-2-YLMETHYL)SULFANYL]-5-(3-BROMOPHENYL)-1,2,4-TRIAZOL-4-AMINE
| Molecular Formula | C16H13BrN6S |
|---|---|
| Molecular Weight | 400.01 g/mol |
| LogP | 3.59 |
| Topological Polar Surface Area | 85.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.0106 |
| Heavy Atoms | 24 |
| Complexity | 975.6562 |
Chemical Identifiers
| CAS Number | 378773-83-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(N3N)C4=CC(=CC=C4)Br |
Product Overview
3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(3-bromophenyl)-1,2,4-triazol-4-amine (CAS 378773-83-2), with molecular formula C16H13BrN6S and molecular weight 400.01 g/mol. IUPAC: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(3-bromophenyl)-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(3-bromophenyl)-1,2,4-triazol-4-amine
Property Insights of 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(3-bromophenyl)-1,2,4-triazol-4-amine
The XLogP value of 3.59 indicates that 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(3-bromophenyl)-1,2,4-triazol-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(3-bromophenyl)-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(3-bromophenyl)-1,2,4-triazol-4-amine has 2 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-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(3-bromophenyl)-1,2,4-triazol-4-amine?
The CAS number of 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(3-bromophenyl)-1,2,4-triazol-4-amine is 378773-83-2.
What is the molecular formula of 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(3-bromophenyl)-1,2,4-triazol-4-amine?
The molecular formula of 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(3-bromophenyl)-1,2,4-triazol-4-amine is C16H13BrN6S.
What is the molecular weight of 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(3-bromophenyl)-1,2,4-triazol-4-amine?
The molecular weight of 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(3-bromophenyl)-1,2,4-triazol-4-amine is 400.01 g/mol.
Where can I buy 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(3-bromophenyl)-1,2,4-triazol-4-amine?
You can request a quote for 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(3-bromophenyl)-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-(3-bromophenyl)-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(3-bromophenyl)-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.