![3-(3,5-Dichloroanilino)-2-[4-(3-fluoropropoxy)phenyl]prop-2-enenitrile structure](/static/products/4780/478039-53-1.webp)
3-(3,5-Dichloroanilino)-2-[4-(3-fluoropropoxy)phenyl]prop-2-enenitrile
TL;DR: 3-(3,5-Dichloroanilino)-2-[4-(3-fluoropropoxy)phenyl]prop-2-enenitrile (CAS 478039-53-1) is a chemical compound with molecular formula C18H15Cl2FN2O and molecular weight 364.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-dichloroanilino)-2-[4-(3-fluoropropoxy)phenyl]prop-2-enenitrile
Also Known As: Bionet1_004237, DivK1c_002733, CDS1_001693, 3-(3,5-dichloroanilino)-2-[4-(3-fluoropropoxy)phenyl]prop-2-enenitrile, (Z)-3-(3,5-dichloroanilino)-2-[4-(3-fluoropropoxy)phenyl]-2-propenenitrile
| Molecular Formula | C18H15Cl2FN2O |
|---|---|
| Molecular Weight | 364.05 g/mol |
| LogP | 5.70838 |
| Topological Polar Surface Area | 45.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 364.05453 |
| Heavy Atoms | 24 |
| Complexity | 734.3544 |
Chemical Identifiers
| CAS Number | 478039-53-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=CNC2=CC(=CC(=C2)Cl)Cl)C#N)OCCCF |
Product Overview
3-(3,5-Dichloroanilino)-2-[4-(3-fluoropropoxy)phenyl]prop-2-enenitrile (CAS 478039-53-1), with molecular formula C18H15Cl2FN2O and molecular weight 364.05 g/mol. IUPAC: 3-(3,5-dichloroanilino)-2-[4-(3-fluoropropoxy)phenyl]prop-2-enenitrile.
Chemical Property Profile of 3-(3,5-Dichloroanilino)-2-[4-(3-fluoropropoxy)phenyl]prop-2-enenitrile
Property Insights of 3-(3,5-Dichloroanilino)-2-[4-(3-fluoropropoxy)phenyl]prop-2-enenitrile
The XLogP value of 5.70838 indicates that 3-(3,5-Dichloroanilino)-2-[4-(3-fluoropropoxy)phenyl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.05 Ų, 3-(3,5-Dichloroanilino)-2-[4-(3-fluoropropoxy)phenyl]prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,5-Dichloroanilino)-2-[4-(3-fluoropropoxy)phenyl]prop-2-enenitrile 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 3-(3,5-Dichloroanilino)-2-[4-(3-fluoropropoxy)phenyl]prop-2-enenitrile?
The CAS number of 3-(3,5-Dichloroanilino)-2-[4-(3-fluoropropoxy)phenyl]prop-2-enenitrile is 478039-53-1.
What is the molecular formula of 3-(3,5-Dichloroanilino)-2-[4-(3-fluoropropoxy)phenyl]prop-2-enenitrile?
The molecular formula of 3-(3,5-Dichloroanilino)-2-[4-(3-fluoropropoxy)phenyl]prop-2-enenitrile is C18H15Cl2FN2O.
What is the molecular weight of 3-(3,5-Dichloroanilino)-2-[4-(3-fluoropropoxy)phenyl]prop-2-enenitrile?
The molecular weight of 3-(3,5-Dichloroanilino)-2-[4-(3-fluoropropoxy)phenyl]prop-2-enenitrile is 364.05 g/mol.
Where can I buy 3-(3,5-Dichloroanilino)-2-[4-(3-fluoropropoxy)phenyl]prop-2-enenitrile?
You can request a quote for 3-(3,5-Dichloroanilino)-2-[4-(3-fluoropropoxy)phenyl]prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,5-Dichloroanilino)-2-[4-(3-fluoropropoxy)phenyl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,5-Dichloroanilino)-2-[4-(3-fluoropropoxy)phenyl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.