(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one
TL;DR: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one (CAS 16352-78-6) is a chemical compound with molecular formula C18H13NO4 and molecular weight 307.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methylphenyl)-1,3-oxazol-5-one
Also Known As: A1043/0048866, (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one, (E)-4-(benzo[d][1,3]dioxol-5-ylmethylene)-2-(p-tolyl)oxazol-5(4H)-one, (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methylphenyl)-1,3-oxazol-5-one
| Molecular Formula | C18H13NO4 |
|---|---|
| Molecular Weight | 307.08 g/mol |
| LogP | 3.06822 |
| Topological Polar Surface Area | 57.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.08447 |
| Heavy Atoms | 23 |
| Complexity | 849.8254 |
Chemical Identifiers
| CAS Number | 16352-78-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=N/C(=C/C3=CC4=C(C=C3)OCO4)/C(=O)O2 |
Product Overview
(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one (CAS 16352-78-6), with molecular formula C18H13NO4 and molecular weight 307.08 g/mol. IUPAC: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methylphenyl)-1,3-oxazol-5-one.
Chemical Property Profile of (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one
Property Insights of (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one
The XLogP value of 3.06822 indicates that (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.12 Ų, (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-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 (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one?
The CAS number of (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one is 16352-78-6.
What is the molecular formula of (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one?
The molecular formula of (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one is C18H13NO4.
What is the molecular weight of (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one?
The molecular weight of (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one is 307.08 g/mol.
Where can I buy (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one?
You can request a quote for (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.