1-methyl-3-(4-methylphenyl)-2H-triazol-1-ium-4-one
TL;DR: 1-methyl-3-(4-methylphenyl)-2H-triazol-1-ium-4-one (CAS 25677-22-9) is a chemical compound with molecular formula C10H12N3O+ and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-(4-methylphenyl)-2H-triazol-1-ium-4-one
Also Known As: 1-methyl-3-(4-methylphenyl)-2H-triazol-1-ium-4-one, Tert-butyl-1,2,3,4-tetrahydro-naphthalen-1,4-imine-9-carboxylate_x000D_, Naphthalen-1,4-imine-9-carboxylicacid, 1,2,3,4-tetrahydro-, 1,1-dimethylethyl ester
| Molecular Formula | C10H12N3O+ |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 35.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.09804 |
| Heavy Atoms | 14 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 25677-22-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C=[N+](N2)C |
| InChIKey | MMBFPANEPLOSMZ-UHFFFAOYSA-O |
Product Overview
1-methyl-3-(4-methylphenyl)-2H-triazol-1-ium-4-one (CAS 25677-22-9), with molecular formula C10H12N3O+ and molecular weight 190.10 g/mol. IUPAC: 1-methyl-3-(4-methylphenyl)-2H-triazol-1-ium-4-one.
Chemical Property Profile of 1-methyl-3-(4-methylphenyl)-2H-triazol-1-ium-4-one
Property Insights of 1-methyl-3-(4-methylphenyl)-2H-triazol-1-ium-4-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-3-(4-methylphenyl)-2H-triazol-1-ium-4-one. With a topological polar surface area (TPSA) of 35.4 Ų, 1-methyl-3-(4-methylphenyl)-2H-triazol-1-ium-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-3-(4-methylphenyl)-2H-triazol-1-ium-4-one has 1 hydrogen bond donor(s) and 2 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-methyl-3-(4-methylphenyl)-2H-triazol-1-ium-4-one?
The CAS number of 1-methyl-3-(4-methylphenyl)-2H-triazol-1-ium-4-one is 25677-22-9.
What is the molecular formula of 1-methyl-3-(4-methylphenyl)-2H-triazol-1-ium-4-one?
The molecular formula of 1-methyl-3-(4-methylphenyl)-2H-triazol-1-ium-4-one is C10H12N3O+.
What is the molecular weight of 1-methyl-3-(4-methylphenyl)-2H-triazol-1-ium-4-one?
The molecular weight of 1-methyl-3-(4-methylphenyl)-2H-triazol-1-ium-4-one is 190.10 g/mol.
Where can I buy 1-methyl-3-(4-methylphenyl)-2H-triazol-1-ium-4-one?
You can request a quote for 1-methyl-3-(4-methylphenyl)-2H-triazol-1-ium-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-3-(4-methylphenyl)-2H-triazol-1-ium-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-3-(4-methylphenyl)-2H-triazol-1-ium-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.