![5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole structure](/static/products/519/51978-99-5.png)
5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
TL;DR: 5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole (CAS 51978-99-5) is a chemical compound with molecular formula C13H10N2O5 and molecular weight 274.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
Also Known As: BAS 10768287, J2.835.064C, AN-465/40809672, 5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole, 5-[2-(1,3-benzodioxol-5-yl)vinyl]-4-nitro-3-methylisoxazole
| Molecular Formula | C13H10N2O5 |
|---|---|
| Molecular Weight | 274.06 g/mol |
| LogP | 2.79032 |
| Topological Polar Surface Area | 87.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.05896 |
| Heavy Atoms | 20 |
| Complexity | 704.7822 |
Chemical Identifiers
| CAS Number | 51978-99-5 |
|---|---|
| SMILES | CC1=NOC(=C1[N+](=O)[O-])/C=C/C2=CC3=C(C=C2)OCO3 |
Product Overview
5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole (CAS 51978-99-5), with molecular formula C13H10N2O5 and molecular weight 274.06 g/mol. IUPAC: 5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole.
Chemical Property Profile of 5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
Property Insights of 5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
The XLogP value of 2.79032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole. The TPSA of 87.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole. Following Lipinski's Rule of Five, 5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole has 0 hydrogen bond donor(s) and 6 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 5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole?
The CAS number of 5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole is 51978-99-5.
What is the molecular formula of 5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole?
The molecular formula of 5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole is C13H10N2O5.
What is the molecular weight of 5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole?
The molecular weight of 5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole is 274.06 g/mol.
Where can I buy 5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole?
You can request a quote for 5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.