![3-(1,3-Benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one structure](/static/products/6922/692287-51-7.webp)
3-(1,3-Benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one
TL;DR: 3-(1,3-Benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one (CAS 692287-51-7) is a chemical compound with molecular formula C18H13N3O3 and molecular weight 319.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one
Also Known As: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one, 3-(2H-1,3-benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one, 3-benzo[1,3]dioxol-5-yl-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one
| Molecular Formula | C18H13N3O3 |
|---|---|
| Molecular Weight | 319.10 g/mol |
| LogP | 2.8921 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.0957 |
| Heavy Atoms | 24 |
| Complexity | 899.76825 |
Chemical Identifiers
| CAS Number | 692287-51-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=CC(=O)C3=CC=C(C=C3)N4C=NC=N4 |
Product Overview
3-(1,3-Benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one (CAS 692287-51-7), with molecular formula C18H13N3O3 and molecular weight 319.10 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one.
Chemical Property Profile of 3-(1,3-Benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one
Property Insights of 3-(1,3-Benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one
The XLogP value of 2.8921 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-Benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-Benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one has 0 hydrogen bond donor(s) and 5 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 3-(1,3-Benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one?
The CAS number of 3-(1,3-Benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one is 692287-51-7.
What is the molecular formula of 3-(1,3-Benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one?
The molecular formula of 3-(1,3-Benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one is C18H13N3O3.
What is the molecular weight of 3-(1,3-Benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one?
The molecular weight of 3-(1,3-Benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one is 319.10 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one?
You can request a quote for 3-(1,3-Benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.