2(3H)-Benzoxazolone, 3-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-
TL;DR: 2(3H)-Benzoxazolone, 3-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)- (CAS 81513-96-4) is a chemical compound with molecular formula C20H20F3N3O2 and molecular weight 391.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one
Also Known As: 2(3H)-Benzoxazolone, 3-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, 3-(2-(4-(3-(Trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-2(3H)-benzoxazolone, 3-[2-[4-[3- phenyl]piperazin-1-yl]ethyl]benzooxazol-2-one, 3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one, 2(3H)-Benzoxazolone,3-[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]-
| Molecular Formula | C20H20F3N3O2 |
|---|---|
| Molecular Weight | 391.15 g/mol |
| LogP | 3.4355 |
| Topological Polar Surface Area | 41.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.15076 |
| Heavy Atoms | 28 |
| Complexity | 1017.19806 |
Chemical Identifiers
| CAS Number | 81513-96-4 |
|---|---|
| SMILES | C1CN(CCN1CCN2C3=CC=CC=C3OC2=O)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
2(3H)-Benzoxazolone, 3-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)- (CAS 81513-96-4), with molecular formula C20H20F3N3O2 and molecular weight 391.15 g/mol. IUPAC: 3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one.
Chemical Property Profile of 2(3H)-Benzoxazolone, 3-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-
Property Insights of 2(3H)-Benzoxazolone, 3-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-
The XLogP value of 3.4355 indicates that 2(3H)-Benzoxazolone, 3-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.62 Ų, 2(3H)-Benzoxazolone, 3-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolone, 3-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)- 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(3H)-Benzoxazolone, 3-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-?
The CAS number of 2(3H)-Benzoxazolone, 3-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)- is 81513-96-4.
What is the molecular formula of 2(3H)-Benzoxazolone, 3-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-?
The molecular formula of 2(3H)-Benzoxazolone, 3-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)- is C20H20F3N3O2.
What is the molecular weight of 2(3H)-Benzoxazolone, 3-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-?
The molecular weight of 2(3H)-Benzoxazolone, 3-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)- is 391.15 g/mol.
Where can I buy 2(3H)-Benzoxazolone, 3-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-?
You can request a quote for 2(3H)-Benzoxazolone, 3-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Benzoxazolone, 3-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzoxazolone, 3-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.