1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
TL;DR: 1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine (CAS 32787-77-2) is a chemical compound with molecular formula C12H14N4 and molecular weight 214.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
Also Known As: (4-isopropyl-benzylidene)-[1,2,4]triazol-4-yl-amine, 1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
| Molecular Formula | C12H14N4 |
|---|---|
| Molecular Weight | 214.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.12184 |
| Heavy Atoms | 16 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 32787-77-2 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C=NN2C=NN=C2 |
| InChIKey | MHZVCDJGINXKCH-UHFFFAOYSA-N |
Product Overview
1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine (CAS 32787-77-2), with molecular formula C12H14N4 and molecular weight 214.12 g/mol. IUPAC: 1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine.
Chemical Property Profile of 1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
Property Insights of 1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine. With a topological polar surface area (TPSA) of 43.1 Ų, 1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine has 0 hydrogen bond donor(s) and 3 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 1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The CAS number of 1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine is 32787-77-2.
What is the molecular formula of 1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The molecular formula of 1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine is C12H14N4.
What is the molecular weight of 1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The molecular weight of 1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine is 214.12 g/mol.
Where can I buy 1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
You can request a quote for 1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.