M57Dak9xfq
TL;DR: M57Dak9xfq (CAS 69095-84-7) is a chemical compound with molecular formula C19H19N3O and molecular weight 305.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-ethylphenyl)-3-(3-prop-2-enoxyphenyl)-1H-1,2,4-triazole
Also Known As: 5-(m-(Allyloxy)phenyl)-3-(O-ethylphenyl)-S-triazole, 5-(2-Ethylphenyl)-3-(3-(2-propen-1-yloxy)phenyl)-1H-1,2,4-triazole, 1H-1,2,4-Triazole, 5-(2-ethylphenyl)-3-(3-(2-propen-1-yloxy)phenyl)-, 3-(2-Ethylphenyl)-5-(3-(prop-2-en-1-yloxy)phenyl)-1H-1,2,4-triazole, 3-(2-ethylphenyl)-5-(3-prop-2-enoxyphenyl)-2H-1,2,4-triazole
| Molecular Formula | C19H19N3O |
|---|---|
| Molecular Weight | 305.15 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 305.1528 |
| Heavy Atoms | 23 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 69095-84-7 |
|---|---|
| SMILES | CCC1=CC=CC=C1C2=NC(=NN2)C3=CC(=CC=C3)OCC=C |
| InChIKey | VPGQEBXSUVCINV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
M57Dak9xfq (CAS 69095-84-7), with molecular formula C19H19N3O and molecular weight 305.15 g/mol. IUPAC: 5-(2-ethylphenyl)-3-(3-prop-2-enoxyphenyl)-1H-1,2,4-triazole.
Chemical Property Profile of M57Dak9xfq
Property Insights of M57Dak9xfq
The XLogP value of 4.7 indicates that M57Dak9xfq is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, M57Dak9xfq exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, M57Dak9xfq has 1 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 M57Dak9xfq?
The CAS number of M57Dak9xfq is 69095-84-7.
What is the molecular formula of M57Dak9xfq?
The molecular formula of M57Dak9xfq is C19H19N3O.
What is the molecular weight of M57Dak9xfq?
The molecular weight of M57Dak9xfq is 305.15 g/mol.
Where can I buy M57Dak9xfq?
You can request a quote for M57Dak9xfq directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for M57Dak9xfq?
Yes, KEHONG BIO provides custom synthesis services for M57Dak9xfq and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.