N-(3-Bromo-4-methoxybenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine
TL;DR: N-(3-Bromo-4-methoxybenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine (CAS 303095-44-5) is a chemical compound with molecular formula C12H13BrN4O and molecular weight 308.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(3-bromo-4-methoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
Also Known As: BIM-0007925.P001, N-(3-Bromo-4-methoxybenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine, (E)-1-(3-bromo-4-methoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine, 1-(3-bromo-4-methoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine, 4-[(1E)-2-(3,5-dimethyl(1,2,4-triazol-4-yl))-2-azavinyl]-2-bromo-1-methoxybenz ene
| Molecular Formula | C12H13BrN4O |
|---|---|
| Molecular Weight | 308.03 g/mol |
| LogP | 2.54824 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.02728 |
| Heavy Atoms | 18 |
| Complexity | 572.2585 |
Chemical Identifiers
| CAS Number | 303095-44-5 |
|---|---|
| SMILES | CC1=NN=C(N1/N=C/C2=CC(=C(C=C2)OC)Br)C |
Product Overview
N-(3-Bromo-4-methoxybenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine (CAS 303095-44-5), with molecular formula C12H13BrN4O and molecular weight 308.03 g/mol. IUPAC: (E)-1-(3-bromo-4-methoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine.
Chemical Property Profile of N-(3-Bromo-4-methoxybenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine
Property Insights of N-(3-Bromo-4-methoxybenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine
The XLogP value of 2.54824 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Bromo-4-methoxybenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine. With a topological polar surface area (TPSA) of 52.3 Ų, N-(3-Bromo-4-methoxybenzylidene)-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-(3-Bromo-4-methoxybenzylidene)-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-(3-Bromo-4-methoxybenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine?
The CAS number of N-(3-Bromo-4-methoxybenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine is 303095-44-5.
What is the molecular formula of N-(3-Bromo-4-methoxybenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine?
The molecular formula of N-(3-Bromo-4-methoxybenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine is C12H13BrN4O.
What is the molecular weight of N-(3-Bromo-4-methoxybenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine?
The molecular weight of N-(3-Bromo-4-methoxybenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine is 308.03 g/mol.
Where can I buy N-(3-Bromo-4-methoxybenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine?
You can request a quote for N-(3-Bromo-4-methoxybenzylidene)-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-(3-Bromo-4-methoxybenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Bromo-4-methoxybenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.