AB01326419-02
TL;DR: AB01326419-02 (CAS 702646-19-3) is a chemical compound with molecular formula C20H12F3N3O2 and molecular weight 383.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(4-nitrophenyl)-3-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]prop-2-enenitrile
Also Known As: AB01326419-02, (2E)-2-(4-nitrophenyl)-3-{1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}prop-2-enenitrile, (E)-2-(4-nitrophenyl)-3-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]prop-2-enenitrile
| Molecular Formula | C20H12F3N3O2 |
|---|---|
| Molecular Weight | 383.09 g/mol |
| LogP | 5.46848 |
| Topological Polar Surface Area | 71.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.08817 |
| Heavy Atoms | 28 |
| Complexity | 1090.874 |
Chemical Identifiers
| CAS Number | 702646-19-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C=CC=C2/C=C(/C#N)\C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F |
Product Overview
AB01326419-02 (CAS 702646-19-3), with molecular formula C20H12F3N3O2 and molecular weight 383.09 g/mol. IUPAC: (E)-2-(4-nitrophenyl)-3-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]prop-2-enenitrile.
Chemical Property Profile of AB01326419-02
Property Insights of AB01326419-02
The XLogP value of 5.46848 indicates that AB01326419-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.86 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01326419-02. Following Lipinski's Rule of Five, AB01326419-02 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 AB01326419-02?
The CAS number of AB01326419-02 is 702646-19-3.
What is the molecular formula of AB01326419-02?
The molecular formula of AB01326419-02 is C20H12F3N3O2.
What is the molecular weight of AB01326419-02?
The molecular weight of AB01326419-02 is 383.09 g/mol.
Where can I buy AB01326419-02?
You can request a quote for AB01326419-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01326419-02?
Yes, KEHONG BIO provides custom synthesis services for AB01326419-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.