N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-fluorophenyl)methanimine
TL;DR: N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-fluorophenyl)methanimine (CAS 303095-46-7) is a chemical compound with molecular formula C11H11FN4 and molecular weight 218.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-fluorophenyl)methanimine
Also Known As: n-(3-fluorobenzylidene)-3,5-dimethyl-4h-1,2,4-triazol-4-amine, N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-fluorophenyl)methanimine
| Molecular Formula | C11H11FN4 |
|---|---|
| Molecular Weight | 218.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.09677 |
| Heavy Atoms | 16 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 303095-46-7 |
|---|---|
| SMILES | CC1=NN=C(N1N=CC2=CC(=CC=C2)F)C |
| InChIKey | CYDVBUDCHXMOJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-fluorophenyl)methanimine (CAS 303095-46-7), with molecular formula C11H11FN4 and molecular weight 218.10 g/mol. IUPAC: N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-fluorophenyl)methanimine.
Chemical Property Profile of N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-fluorophenyl)methanimine
Property Insights of N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-fluorophenyl)methanimine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-fluorophenyl)methanimine. With a topological polar surface area (TPSA) of 43.1 Ų, N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-fluorophenyl)methanimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-fluorophenyl)methanimine 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-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-fluorophenyl)methanimine?
The CAS number of N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-fluorophenyl)methanimine is 303095-46-7.
What is the molecular formula of N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-fluorophenyl)methanimine?
The molecular formula of N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-fluorophenyl)methanimine is C11H11FN4.
What is the molecular weight of N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-fluorophenyl)methanimine?
The molecular weight of N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-fluorophenyl)methanimine is 218.10 g/mol.
Where can I buy N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-fluorophenyl)methanimine?
You can request a quote for N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-fluorophenyl)methanimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-fluorophenyl)methanimine?
Yes, KEHONG BIO provides custom synthesis services for N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-fluorophenyl)methanimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.