![3-{3-Chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enenitrile structure](/static/products/5386/5386-25-4.webp)
3-{3-Chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enenitrile
TL;DR: 3-{3-Chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enenitrile (CAS 5386-25-4) is a chemical compound with molecular formula C17H13ClFNO2 and molecular weight 317.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]prop-2-enenitrile
Also Known As: 2-Hydroxy-1-Naphthalenemethanol, 3-[3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]prop-2-enenitrile, 3-{3-Chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enenitrile, 3-[3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxy-phenyl]prop-2-enenitrile
| Molecular Formula | C17H13ClFNO2 |
|---|---|
| Molecular Weight | 317.06 g/mol |
| LogP | 4.60348 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.0619 |
| Heavy Atoms | 22 |
| Complexity | 737.9242 |
Chemical Identifiers
| CAS Number | 5386-25-4 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C=CC#N)Cl)OCC2=CC(=CC=C2)F |
Product Overview
3-{3-Chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enenitrile (CAS 5386-25-4), with molecular formula C17H13ClFNO2 and molecular weight 317.06 g/mol. IUPAC: 3-[3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]prop-2-enenitrile.
Chemical Property Profile of 3-{3-Chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enenitrile
Property Insights of 3-{3-Chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enenitrile
The XLogP value of 4.60348 indicates that 3-{3-Chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.25 Ų, 3-{3-Chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{3-Chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enenitrile has 0 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-{3-Chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enenitrile?
The CAS number of 3-{3-Chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enenitrile is 5386-25-4.
What is the molecular formula of 3-{3-Chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enenitrile?
The molecular formula of 3-{3-Chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enenitrile is C17H13ClFNO2.
What is the molecular weight of 3-{3-Chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enenitrile?
The molecular weight of 3-{3-Chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enenitrile is 317.06 g/mol.
Where can I buy 3-{3-Chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enenitrile?
You can request a quote for 3-{3-Chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}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-Chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-{3-Chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.