(2E)-2-(1,3-benzothiazol-2-yl)-3-(pentafluorophenyl)prop-2-enenitrile
TL;DR: (2E)-2-(1,3-benzothiazol-2-yl)-3-(pentafluorophenyl)prop-2-enenitrile (CAS 451516-02-2) is a chemical compound with molecular formula C16H5F5N2S and molecular weight 352.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1,3-benzothiazol-2-yl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enenitrile
Also Known As: VU0510197-1, F3139-1167, (2E)-2-(1,3-BENZOTHIAZOL-2-YL)-3-(2,3,4,5,6-PENTAFLUOROPHENYL)PROP-2-ENENITRILE, (2E)-2-(1,3-benzothiazol-2-yl)-3-(pentafluorophenyl)prop-2-enenitrile, (E)-2-(benzo[d]thiazol-2-yl)-3-(perfluorophenyl)acrylonitrile
| Molecular Formula | C16H5F5N2S |
|---|---|
| Molecular Weight | 352.01 g/mol |
| LogP | 5.05598 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.00937 |
| Heavy Atoms | 24 |
| Complexity | 970.8543 |
Chemical Identifiers
| CAS Number | 451516-02-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=C(C(=C(C(=C3F)F)F)F)F)/C#N |
Product Overview
(2E)-2-(1,3-benzothiazol-2-yl)-3-(pentafluorophenyl)prop-2-enenitrile (CAS 451516-02-2), with molecular formula C16H5F5N2S and molecular weight 352.01 g/mol. IUPAC: (E)-2-(1,3-benzothiazol-2-yl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enenitrile.
Chemical Property Profile of (2E)-2-(1,3-benzothiazol-2-yl)-3-(pentafluorophenyl)prop-2-enenitrile
Property Insights of (2E)-2-(1,3-benzothiazol-2-yl)-3-(pentafluorophenyl)prop-2-enenitrile
The XLogP value of 5.05598 indicates that (2E)-2-(1,3-benzothiazol-2-yl)-3-(pentafluorophenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, (2E)-2-(1,3-benzothiazol-2-yl)-3-(pentafluorophenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-2-(1,3-benzothiazol-2-yl)-3-(pentafluorophenyl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-2-(1,3-benzothiazol-2-yl)-3-(pentafluorophenyl)prop-2-enenitrile?
The CAS number of (2E)-2-(1,3-benzothiazol-2-yl)-3-(pentafluorophenyl)prop-2-enenitrile is 451516-02-2.
What is the molecular formula of (2E)-2-(1,3-benzothiazol-2-yl)-3-(pentafluorophenyl)prop-2-enenitrile?
The molecular formula of (2E)-2-(1,3-benzothiazol-2-yl)-3-(pentafluorophenyl)prop-2-enenitrile is C16H5F5N2S.
What is the molecular weight of (2E)-2-(1,3-benzothiazol-2-yl)-3-(pentafluorophenyl)prop-2-enenitrile?
The molecular weight of (2E)-2-(1,3-benzothiazol-2-yl)-3-(pentafluorophenyl)prop-2-enenitrile is 352.01 g/mol.
Where can I buy (2E)-2-(1,3-benzothiazol-2-yl)-3-(pentafluorophenyl)prop-2-enenitrile?
You can request a quote for (2E)-2-(1,3-benzothiazol-2-yl)-3-(pentafluorophenyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-(1,3-benzothiazol-2-yl)-3-(pentafluorophenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(1,3-benzothiazol-2-yl)-3-(pentafluorophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.