VU0605386-1
TL;DR: VU0605386-1 (CAS 883278-96-4) is a chemical compound with molecular formula C21H17F3N4S and molecular weight 414.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(1,3-benzothiazol-2-yl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-enenitrile
Also Known As: VU0605386-1, (2Z)-2-(1,3-benzothiazol-2-yl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}prop-2-enenitrile, F3225-8637, (Z)-2-(benzo[d]thiazol-2-yl)-3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)acrylonitrile, (Z)-2-(1,3-benzothiazol-2-yl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-enenitrile
| Molecular Formula | C21H17F3N4S |
|---|---|
| Molecular Weight | 414.11 g/mol |
| LogP | 5.00178 |
| Topological Polar Surface Area | 43.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.1126 |
| Heavy Atoms | 29 |
| Complexity | 1055.9895 |
Chemical Identifiers
| CAS Number | 883278-96-4 |
|---|---|
| SMILES | C1CN(CCN1/C=C(/C#N)\C2=NC3=CC=CC=C3S2)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
VU0605386-1 (CAS 883278-96-4), with molecular formula C21H17F3N4S and molecular weight 414.11 g/mol. IUPAC: (Z)-2-(1,3-benzothiazol-2-yl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-enenitrile.
Chemical Property Profile of VU0605386-1
Property Insights of VU0605386-1
The XLogP value of 5.00178 indicates that VU0605386-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.16 Ų, VU0605386-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0605386-1 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VU0605386-1?
The CAS number of VU0605386-1 is 883278-96-4.
What is the molecular formula of VU0605386-1?
The molecular formula of VU0605386-1 is C21H17F3N4S.
What is the molecular weight of VU0605386-1?
The molecular weight of VU0605386-1 is 414.11 g/mol.
Where can I buy VU0605386-1?
You can request a quote for VU0605386-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0605386-1?
Yes, KEHONG BIO provides custom synthesis services for VU0605386-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.