![3-Amino-3-[4-(4-chloro-3-fluorophenoxy)phenyl]prop-2-enenitrile structure](/static/products/4780/478081-39-9.webp)
3-Amino-3-[4-(4-chloro-3-fluorophenoxy)phenyl]prop-2-enenitrile
TL;DR: 3-Amino-3-[4-(4-chloro-3-fluorophenoxy)phenyl]prop-2-enenitrile (CAS 478081-39-9) is a chemical compound with molecular formula C15H10ClFN2O and molecular weight 288.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-3-[4-(4-chloro-3-fluorophenoxy)phenyl]prop-2-enenitrile
Also Known As: Bionet2_000502, 3-amino-3-[4-(4-chloro-3-fluorophenoxy)phenyl]prop-2-enenitrile, (Z)-3-amino-3-[4-(4-chloro-3-fluorophenoxy)phenyl]-2-propenenitrile, 3-Amino-3-[4-(4-chloro-3-fluorophenoxy)phenyl]-2-propenenitrile
| Molecular Formula | C15H10ClFN2O |
|---|---|
| Molecular Weight | 288.05 g/mol |
| LogP | 4.09458 |
| Topological Polar Surface Area | 59.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.04657 |
| Heavy Atoms | 20 |
| Complexity | 690.00995 |
Chemical Identifiers
| CAS Number | 478081-39-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=CC#N)N)OC2=CC(=C(C=C2)Cl)F |
Product Overview
3-Amino-3-[4-(4-chloro-3-fluorophenoxy)phenyl]prop-2-enenitrile (CAS 478081-39-9), with molecular formula C15H10ClFN2O and molecular weight 288.05 g/mol. IUPAC: 3-amino-3-[4-(4-chloro-3-fluorophenoxy)phenyl]prop-2-enenitrile.
Chemical Property Profile of 3-Amino-3-[4-(4-chloro-3-fluorophenoxy)phenyl]prop-2-enenitrile
Property Insights of 3-Amino-3-[4-(4-chloro-3-fluorophenoxy)phenyl]prop-2-enenitrile
The XLogP value of 4.09458 indicates that 3-Amino-3-[4-(4-chloro-3-fluorophenoxy)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 59.04 Ų, 3-Amino-3-[4-(4-chloro-3-fluorophenoxy)phenyl]prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-3-[4-(4-chloro-3-fluorophenoxy)phenyl]prop-2-enenitrile has 1 hydrogen bond donor(s) and 3 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 3-Amino-3-[4-(4-chloro-3-fluorophenoxy)phenyl]prop-2-enenitrile?
The CAS number of 3-Amino-3-[4-(4-chloro-3-fluorophenoxy)phenyl]prop-2-enenitrile is 478081-39-9.
What is the molecular formula of 3-Amino-3-[4-(4-chloro-3-fluorophenoxy)phenyl]prop-2-enenitrile?
The molecular formula of 3-Amino-3-[4-(4-chloro-3-fluorophenoxy)phenyl]prop-2-enenitrile is C15H10ClFN2O.
What is the molecular weight of 3-Amino-3-[4-(4-chloro-3-fluorophenoxy)phenyl]prop-2-enenitrile?
The molecular weight of 3-Amino-3-[4-(4-chloro-3-fluorophenoxy)phenyl]prop-2-enenitrile is 288.05 g/mol.
Where can I buy 3-Amino-3-[4-(4-chloro-3-fluorophenoxy)phenyl]prop-2-enenitrile?
You can request a quote for 3-Amino-3-[4-(4-chloro-3-fluorophenoxy)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-Amino-3-[4-(4-chloro-3-fluorophenoxy)phenyl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-3-[4-(4-chloro-3-fluorophenoxy)phenyl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.