N-((5-Bromo-2-thienyl)methylene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine
TL;DR: N-((5-Bromo-2-thienyl)methylene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine (CAS 303092-69-5) is a chemical compound with molecular formula C9H9BrN4S and molecular weight 283.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(5-bromothiophen-2-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
Also Known As: N-((5-Bromothiophen-2-yl)methylene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine, 1-(5-bromothiophen-2-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine, N-((5-Bromo-2-thienyl)methylene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine, N-[(E)-(5-bromo-2-thienyl)methylidene]-3,5-dimethyl-4H-1,2,4-triazol-4-amine, 652-810-4
| Molecular Formula | C9H9BrN4S |
|---|---|
| Molecular Weight | 283.97 g/mol |
| LogP | 2.60114 |
| Topological Polar Surface Area | 43.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.97314 |
| Heavy Atoms | 15 |
| Complexity | 480.43546 |
Chemical Identifiers
| CAS Number | 303092-69-5 |
|---|---|
| SMILES | CC1=NN=C(N1/N=C/C2=CC=C(S2)Br)C |
Product Overview
N-((5-Bromo-2-thienyl)methylene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine (CAS 303092-69-5), with molecular formula C9H9BrN4S and molecular weight 283.97 g/mol. IUPAC: (E)-1-(5-bromothiophen-2-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine.
Chemical Property Profile of N-((5-Bromo-2-thienyl)methylene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine
Property Insights of N-((5-Bromo-2-thienyl)methylene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine
The XLogP value of 2.60114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((5-Bromo-2-thienyl)methylene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine. With a topological polar surface area (TPSA) of 43.07 Ų, N-((5-Bromo-2-thienyl)methylene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-((5-Bromo-2-thienyl)methylene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine has 0 hydrogen bond donor(s) and 4 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 N-((5-Bromo-2-thienyl)methylene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine?
The CAS number of N-((5-Bromo-2-thienyl)methylene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine is 303092-69-5.
What is the molecular formula of N-((5-Bromo-2-thienyl)methylene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine?
The molecular formula of N-((5-Bromo-2-thienyl)methylene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine is C9H9BrN4S.
What is the molecular weight of N-((5-Bromo-2-thienyl)methylene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine?
The molecular weight of N-((5-Bromo-2-thienyl)methylene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine is 283.97 g/mol.
Where can I buy N-((5-Bromo-2-thienyl)methylene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine?
You can request a quote for N-((5-Bromo-2-thienyl)methylene)-3,5-dimethyl-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 N-((5-Bromo-2-thienyl)methylene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-((5-Bromo-2-thienyl)methylene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.