(e/z)-Trelnarizine
TL;DR: (e/z)-Trelnarizine (CAS 123205-52-7) is a chemical compound with molecular formula C28H30F2N2O2 and molecular weight 464.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[bis(4-fluorophenyl)methyl]-4-[3-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine
Also Known As: (e/z)-Trelnarizine, PU 122, (E/Z)-Trelnarizine Dihydrochloride(Mixture), 1-[Bis(4-fluorophenyl)methyl]-4-[3-(3,4-dimethoxyphenyl)-2-propenyl]piperazine Dihydrochloride, 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine
| Molecular Formula | C28H30F2N2O2 |
|---|---|
| Molecular Weight | 464.23 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 24.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.22754 |
| Heavy Atoms | 34 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 123205-52-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=CCN2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC |
| InChIKey | CELDOXOGIZIYPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(e/z)-Trelnarizine (CAS 123205-52-7), with molecular formula C28H30F2N2O2 and molecular weight 464.23 g/mol. IUPAC: 1-[bis(4-fluorophenyl)methyl]-4-[3-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine.
Chemical Property Profile of (e/z)-Trelnarizine
Property Insights of (e/z)-Trelnarizine
The XLogP value of 5.5 indicates that (e/z)-Trelnarizine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.9 Ų, (e/z)-Trelnarizine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (e/z)-Trelnarizine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (e/z)-Trelnarizine?
The CAS number of (e/z)-Trelnarizine is 123205-52-7.
What is the molecular formula of (e/z)-Trelnarizine?
The molecular formula of (e/z)-Trelnarizine is C28H30F2N2O2.
What is the molecular weight of (e/z)-Trelnarizine?
The molecular weight of (e/z)-Trelnarizine is 464.23 g/mol.
Where can I buy (e/z)-Trelnarizine?
You can request a quote for (e/z)-Trelnarizine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (e/z)-Trelnarizine?
Yes, KEHONG BIO provides custom synthesis services for (e/z)-Trelnarizine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.