![(E)-3-(4-toluidino)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-propen-1-one structure](/static/products/6851/685107-73-7.webp)
(E)-3-(4-toluidino)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-propen-1-one
TL;DR: (E)-3-(4-toluidino)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-propen-1-one (CAS 685107-73-7) is a chemical compound with molecular formula C18H16N4O and molecular weight 304.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylanilino)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one
Also Known As: (E)-3-(4-toluidino)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-propen-1-one, 3-(4-methylanilino)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one
| Molecular Formula | C18H16N4O |
|---|---|
| Molecular Weight | 304.13 g/mol |
| LogP | 3.38422 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.13242 |
| Heavy Atoms | 23 |
| Complexity | 803.2426 |
Chemical Identifiers
| CAS Number | 685107-73-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC=CC(=O)C2=CC=C(C=C2)N3C=NC=N3 |
Product Overview
(E)-3-(4-toluidino)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-propen-1-one (CAS 685107-73-7), with molecular formula C18H16N4O and molecular weight 304.13 g/mol. IUPAC: 3-(4-methylanilino)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one.
Chemical Property Profile of (E)-3-(4-toluidino)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-propen-1-one
Property Insights of (E)-3-(4-toluidino)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-propen-1-one
The XLogP value of 3.38422 indicates that (E)-3-(4-toluidino)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-propen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, (E)-3-(4-toluidino)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(4-toluidino)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-propen-1-one has 1 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 (E)-3-(4-toluidino)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-propen-1-one?
The CAS number of (E)-3-(4-toluidino)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-propen-1-one is 685107-73-7.
What is the molecular formula of (E)-3-(4-toluidino)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-propen-1-one?
The molecular formula of (E)-3-(4-toluidino)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-propen-1-one is C18H16N4O.
What is the molecular weight of (E)-3-(4-toluidino)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-propen-1-one?
The molecular weight of (E)-3-(4-toluidino)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-propen-1-one is 304.13 g/mol.
Where can I buy (E)-3-(4-toluidino)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-propen-1-one?
You can request a quote for (E)-3-(4-toluidino)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-propen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(4-toluidino)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-toluidino)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.