![2-[2-(2,4,6-Trimethoxyphenyl)vinyl]-1,3-benzoxazole structure](/static/products/776/77669-11-5.png)
2-[2-(2,4,6-Trimethoxyphenyl)vinyl]-1,3-benzoxazole
TL;DR: 2-[2-(2,4,6-Trimethoxyphenyl)vinyl]-1,3-benzoxazole (CAS 77669-11-5) is a chemical compound with molecular formula C18H17NO4 and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]-1,3-benzoxazole
Also Known As: 2-[2-(2,4,6-trimethoxyphenyl)vinyl]-1,3-benzoxazole, AT-051/41206020, 2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]-1,3-benzoxazole
| Molecular Formula | C18H17NO4 |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 4.024 |
| Topological Polar Surface Area | 53.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.11575 |
| Heavy Atoms | 23 |
| Complexity | 793.09894 |
Chemical Identifiers
| CAS Number | 77669-11-5 |
|---|---|
| SMILES | COC1=CC(=C(C(=C1)OC)/C=C/C2=NC3=CC=CC=C3O2)OC |
Product Overview
2-[2-(2,4,6-Trimethoxyphenyl)vinyl]-1,3-benzoxazole (CAS 77669-11-5), with molecular formula C18H17NO4 and molecular weight 311.12 g/mol. IUPAC: 2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]-1,3-benzoxazole.
Chemical Property Profile of 2-[2-(2,4,6-Trimethoxyphenyl)vinyl]-1,3-benzoxazole
Property Insights of 2-[2-(2,4,6-Trimethoxyphenyl)vinyl]-1,3-benzoxazole
The XLogP value of 4.024 indicates that 2-[2-(2,4,6-Trimethoxyphenyl)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 53.72 Ų, 2-[2-(2,4,6-Trimethoxyphenyl)vinyl]-1,3-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(2,4,6-Trimethoxyphenyl)vinyl]-1,3-benzoxazole 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 2-[2-(2,4,6-Trimethoxyphenyl)vinyl]-1,3-benzoxazole?
The CAS number of 2-[2-(2,4,6-Trimethoxyphenyl)vinyl]-1,3-benzoxazole is 77669-11-5.
What is the molecular formula of 2-[2-(2,4,6-Trimethoxyphenyl)vinyl]-1,3-benzoxazole?
The molecular formula of 2-[2-(2,4,6-Trimethoxyphenyl)vinyl]-1,3-benzoxazole is C18H17NO4.
What is the molecular weight of 2-[2-(2,4,6-Trimethoxyphenyl)vinyl]-1,3-benzoxazole?
The molecular weight of 2-[2-(2,4,6-Trimethoxyphenyl)vinyl]-1,3-benzoxazole is 311.12 g/mol.
Where can I buy 2-[2-(2,4,6-Trimethoxyphenyl)vinyl]-1,3-benzoxazole?
You can request a quote for 2-[2-(2,4,6-Trimethoxyphenyl)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-(2,4,6-Trimethoxyphenyl)vinyl]-1,3-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(2,4,6-Trimethoxyphenyl)vinyl]-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.