Bionet1_003942
TL;DR: Bionet1_003942 (CAS 478039-65-5) is a chemical compound with molecular formula C19H16F4N2O and molecular weight 364.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-fluoropropoxy)phenyl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile
Also Known As: Bionet1_003942, DivK1c_002438, CDS1_001398, (Z)-2-[4-(3-fluoropropoxy)phenyl]-3-[3-(trifluoromethyl)anilino]-2-propenenitrile, 2-[4-(3-fluoropropoxy)phenyl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile
| Molecular Formula | C19H16F4N2O |
|---|---|
| Molecular Weight | 364.12 g/mol |
| LogP | 5.42038 |
| Topological Polar Surface Area | 45.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 364.11987 |
| Heavy Atoms | 26 |
| Complexity | 792.4218 |
Chemical Identifiers
| CAS Number | 478039-65-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC=C(C#N)C2=CC=C(C=C2)OCCCF)C(F)(F)F |
Product Overview
Bionet1_003942 (CAS 478039-65-5), with molecular formula C19H16F4N2O and molecular weight 364.12 g/mol. IUPAC: 2-[4-(3-fluoropropoxy)phenyl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile.
Chemical Property Profile of Bionet1_003942
Property Insights of Bionet1_003942
The XLogP value of 5.42038 indicates that Bionet1_003942 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.05 Ų, Bionet1_003942 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_003942 has 1 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 Bionet1_003942?
The CAS number of Bionet1_003942 is 478039-65-5.
What is the molecular formula of Bionet1_003942?
The molecular formula of Bionet1_003942 is C19H16F4N2O.
What is the molecular weight of Bionet1_003942?
The molecular weight of Bionet1_003942 is 364.12 g/mol.
Where can I buy Bionet1_003942?
You can request a quote for Bionet1_003942 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_003942?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_003942 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.