![(E)-2-(benzo[d]oxazol-2-yl)-3-(perfluorophenyl)acrylonitrile structure](/static/products/618/618391-72-3.png)
(E)-2-(benzo[d]oxazol-2-yl)-3-(perfluorophenyl)acrylonitrile
TL;DR: (E)-2-(benzo[d]oxazol-2-yl)-3-(perfluorophenyl)acrylonitrile (CAS 618391-72-3) is a chemical compound with molecular formula C16H5F5N2O and molecular weight 336.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1,3-benzoxazol-2-yl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enenitrile
Also Known As: (E)-2-(benzo[d]oxazol-2-yl)-3-(perfluorophenyl)acrylonitrile, VU0510195-1, F3139-1165, (2E)-2-(1,3-BENZOXAZOL-2-YL)-3-(2,3,4,5,6-PENTAFLUOROPHENYL)PROP-2-ENENITRILE, (E)-2-(1,3-benzoxazol-2-yl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enenitrile
| Molecular Formula | C16H5F5N2O |
|---|---|
| Molecular Weight | 336.03 g/mol |
| LogP | 4.58748 |
| Topological Polar Surface Area | 49.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.0322 |
| Heavy Atoms | 24 |
| Complexity | 970.8543 |
Chemical Identifiers
| CAS Number | 618391-72-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)/C(=C/C3=C(C(=C(C(=C3F)F)F)F)F)/C#N |
Product Overview
(E)-2-(benzo[d]oxazol-2-yl)-3-(perfluorophenyl)acrylonitrile (CAS 618391-72-3), with molecular formula C16H5F5N2O and molecular weight 336.03 g/mol. IUPAC: (E)-2-(1,3-benzoxazol-2-yl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enenitrile.
Chemical Property Profile of (E)-2-(benzo[d]oxazol-2-yl)-3-(perfluorophenyl)acrylonitrile
Property Insights of (E)-2-(benzo[d]oxazol-2-yl)-3-(perfluorophenyl)acrylonitrile
The XLogP value of 4.58748 indicates that (E)-2-(benzo[d]oxazol-2-yl)-3-(perfluorophenyl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.82 Ų, (E)-2-(benzo[d]oxazol-2-yl)-3-(perfluorophenyl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-(benzo[d]oxazol-2-yl)-3-(perfluorophenyl)acrylonitrile has 0 hydrogen bond donor(s) and 3 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 (E)-2-(benzo[d]oxazol-2-yl)-3-(perfluorophenyl)acrylonitrile?
The CAS number of (E)-2-(benzo[d]oxazol-2-yl)-3-(perfluorophenyl)acrylonitrile is 618391-72-3.
What is the molecular formula of (E)-2-(benzo[d]oxazol-2-yl)-3-(perfluorophenyl)acrylonitrile?
The molecular formula of (E)-2-(benzo[d]oxazol-2-yl)-3-(perfluorophenyl)acrylonitrile is C16H5F5N2O.
What is the molecular weight of (E)-2-(benzo[d]oxazol-2-yl)-3-(perfluorophenyl)acrylonitrile?
The molecular weight of (E)-2-(benzo[d]oxazol-2-yl)-3-(perfluorophenyl)acrylonitrile is 336.03 g/mol.
Where can I buy (E)-2-(benzo[d]oxazol-2-yl)-3-(perfluorophenyl)acrylonitrile?
You can request a quote for (E)-2-(benzo[d]oxazol-2-yl)-3-(perfluorophenyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(benzo[d]oxazol-2-yl)-3-(perfluorophenyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(benzo[d]oxazol-2-yl)-3-(perfluorophenyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.