2-Propen-1-one, 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)-
TL;DR: 2-Propen-1-one, 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)- (CAS 104940-91-2) is a chemical compound with molecular formula C12H11N3O and molecular weight 213.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one
Also Known As: 1H-Purin-2-amine,6-azido, 2-Propen-1-one, 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)-, 1-(4-methylphenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one, 1-(p-tolyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one, 2-Propen-1-one,1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)-
| Molecular Formula | C12H11N3O |
|---|---|
| Molecular Weight | 213.09 g/mol |
| LogP | 1.94012 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.09021 |
| Heavy Atoms | 16 |
| Complexity | 511.70673 |
Chemical Identifiers
| CAS Number | 104940-91-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C(=C)N2C=NC=N2 |
Product Overview
2-Propen-1-one, 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)- (CAS 104940-91-2), with molecular formula C12H11N3O and molecular weight 213.09 g/mol. IUPAC: 1-(4-methylphenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one.
Chemical Property Profile of 2-Propen-1-one, 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)-
Property Insights of 2-Propen-1-one, 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)-
The XLogP value of 1.94012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propen-1-one, 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)-. With a topological polar surface area (TPSA) of 47.78 Ų, 2-Propen-1-one, 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propen-1-one, 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)- 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 2-Propen-1-one, 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)-?
The CAS number of 2-Propen-1-one, 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)- is 104940-91-2.
What is the molecular formula of 2-Propen-1-one, 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)-?
The molecular formula of 2-Propen-1-one, 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)- is C12H11N3O.
What is the molecular weight of 2-Propen-1-one, 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)-?
The molecular weight of 2-Propen-1-one, 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)- is 213.09 g/mol.
Where can I buy 2-Propen-1-one, 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)-?
You can request a quote for 2-Propen-1-one, 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propen-1-one, 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propen-1-one, 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.