![2-[2-(1,3-Benzodioxol-5-yl)vinyl]-1,3-benzoxazole structure](/static/products/776/77669-51-3.png)
2-[2-(1,3-Benzodioxol-5-yl)vinyl]-1,3-benzoxazole
TL;DR: 2-[2-(1,3-Benzodioxol-5-yl)vinyl]-1,3-benzoxazole (CAS 77669-51-3) is a chemical compound with molecular formula C16H11NO3 and molecular weight 265.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-benzoxazole
Also Known As: 2-[2-(1,3-benzodioxol-5-yl)vinyl]-1,3-benzoxazole, AP-939/41206019, 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-benzoxazole, 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1,3-benzoxazole, Benzoxazole, 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-
| Molecular Formula | C16H11NO3 |
|---|---|
| Molecular Weight | 265.07 g/mol |
| LogP | 3.7269 |
| Topological Polar Surface Area | 44.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.07388 |
| Heavy Atoms | 20 |
| Complexity | 771.3421 |
Chemical Identifiers
| CAS Number | 77669-51-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/C3=NC4=CC=CC=C4O3 |
Product Overview
2-[2-(1,3-Benzodioxol-5-yl)vinyl]-1,3-benzoxazole (CAS 77669-51-3), with molecular formula C16H11NO3 and molecular weight 265.07 g/mol. IUPAC: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-benzoxazole.
Chemical Property Profile of 2-[2-(1,3-Benzodioxol-5-yl)vinyl]-1,3-benzoxazole
Property Insights of 2-[2-(1,3-Benzodioxol-5-yl)vinyl]-1,3-benzoxazole
The XLogP value of 3.7269 indicates that 2-[2-(1,3-Benzodioxol-5-yl)vinyl]-1,3-benzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.49 Ų, 2-[2-(1,3-Benzodioxol-5-yl)vinyl]-1,3-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(1,3-Benzodioxol-5-yl)vinyl]-1,3-benzoxazole has 0 hydrogen bond donor(s) and 4 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 2-[2-(1,3-Benzodioxol-5-yl)vinyl]-1,3-benzoxazole?
The CAS number of 2-[2-(1,3-Benzodioxol-5-yl)vinyl]-1,3-benzoxazole is 77669-51-3.
What is the molecular formula of 2-[2-(1,3-Benzodioxol-5-yl)vinyl]-1,3-benzoxazole?
The molecular formula of 2-[2-(1,3-Benzodioxol-5-yl)vinyl]-1,3-benzoxazole is C16H11NO3.
What is the molecular weight of 2-[2-(1,3-Benzodioxol-5-yl)vinyl]-1,3-benzoxazole?
The molecular weight of 2-[2-(1,3-Benzodioxol-5-yl)vinyl]-1,3-benzoxazole is 265.07 g/mol.
Where can I buy 2-[2-(1,3-Benzodioxol-5-yl)vinyl]-1,3-benzoxazole?
You can request a quote for 2-[2-(1,3-Benzodioxol-5-yl)vinyl]-1,3-benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(1,3-Benzodioxol-5-yl)vinyl]-1,3-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(1,3-Benzodioxol-5-yl)vinyl]-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.