(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one
TL;DR: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one (CAS 102079-36-7) is a chemical compound with molecular formula C20H17NO7 and molecular weight 383.10 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-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one
Also Known As: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one, (E)-4-(benzo[d][1,3]dioxol-5-ylmethylene)-2-(3,4,5-trimethoxyphenyl)oxazol-5(4H)-one, (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
| Molecular Formula | C20H17NO7 |
|---|---|
| Molecular Weight | 383.10 g/mol |
| LogP | 2.7856 |
| Topological Polar Surface Area | 84.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.1005 |
| Heavy Atoms | 28 |
| Complexity | 984.60406 |
Chemical Identifiers
| CAS Number | 102079-36-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=N/C(=C/C3=CC4=C(C=C3)OCO4)/C(=O)O2 |
Product Overview
(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one (CAS 102079-36-7), with molecular formula C20H17NO7 and molecular weight 383.10 g/mol. IUPAC: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one.
Chemical Property Profile of (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one
Property Insights of (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one
The XLogP value of 2.7856 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one. The TPSA of 84.81 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one. Following Lipinski's Rule of Five, (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one has 0 hydrogen bond donor(s) and 8 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-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one?
The CAS number of (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one is 102079-36-7.
What is the molecular formula of (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one?
The molecular formula of (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one is C20H17NO7.
What is the molecular weight of (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one?
The molecular weight of (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one is 383.10 g/mol.
Where can I buy (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one?
You can request a quote for (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-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-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.