(E)-2-(4-fluorophenyl)-3-(3-iodo-4,5-dimethoxyphenyl)prop-2-enenitrile
TL;DR: (E)-2-(4-fluorophenyl)-3-(3-iodo-4,5-dimethoxyphenyl)prop-2-enenitrile (CAS 714214-68-3) is a chemical compound with molecular formula C17H13FINO2 and molecular weight 409.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(4-fluorophenyl)-3-(3-iodo-4,5-dimethoxyphenyl)prop-2-enenitrile
Also Known As: (2E)-2-(4-fluorophenyl)-3-(3-iodo-4,5-dimethoxyphenyl)prop-2-enenitrile, (E)-2-(4-fluorophenyl)-3-(3-iodo-4,5-dimethoxyphenyl)prop-2-enenitrile
| Molecular Formula | C17H13FINO2 |
|---|---|
| Molecular Weight | 409.00 g/mol |
| LogP | 4.51168 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.9975 |
| Heavy Atoms | 22 |
| Complexity | 748.4896 |
Chemical Identifiers
| CAS Number | 714214-68-3 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C(/C#N)\C2=CC=C(C=C2)F)I)OC |
Product Overview
(E)-2-(4-fluorophenyl)-3-(3-iodo-4,5-dimethoxyphenyl)prop-2-enenitrile (CAS 714214-68-3), with molecular formula C17H13FINO2 and molecular weight 409.00 g/mol. IUPAC: (E)-2-(4-fluorophenyl)-3-(3-iodo-4,5-dimethoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of (E)-2-(4-fluorophenyl)-3-(3-iodo-4,5-dimethoxyphenyl)prop-2-enenitrile
Property Insights of (E)-2-(4-fluorophenyl)-3-(3-iodo-4,5-dimethoxyphenyl)prop-2-enenitrile
The XLogP value of 4.51168 indicates that (E)-2-(4-fluorophenyl)-3-(3-iodo-4,5-dimethoxyphenyl)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, (E)-2-(4-fluorophenyl)-3-(3-iodo-4,5-dimethoxyphenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-(4-fluorophenyl)-3-(3-iodo-4,5-dimethoxyphenyl)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 (E)-2-(4-fluorophenyl)-3-(3-iodo-4,5-dimethoxyphenyl)prop-2-enenitrile?
The CAS number of (E)-2-(4-fluorophenyl)-3-(3-iodo-4,5-dimethoxyphenyl)prop-2-enenitrile is 714214-68-3.
What is the molecular formula of (E)-2-(4-fluorophenyl)-3-(3-iodo-4,5-dimethoxyphenyl)prop-2-enenitrile?
The molecular formula of (E)-2-(4-fluorophenyl)-3-(3-iodo-4,5-dimethoxyphenyl)prop-2-enenitrile is C17H13FINO2.
What is the molecular weight of (E)-2-(4-fluorophenyl)-3-(3-iodo-4,5-dimethoxyphenyl)prop-2-enenitrile?
The molecular weight of (E)-2-(4-fluorophenyl)-3-(3-iodo-4,5-dimethoxyphenyl)prop-2-enenitrile is 409.00 g/mol.
Where can I buy (E)-2-(4-fluorophenyl)-3-(3-iodo-4,5-dimethoxyphenyl)prop-2-enenitrile?
You can request a quote for (E)-2-(4-fluorophenyl)-3-(3-iodo-4,5-dimethoxyphenyl)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 (E)-2-(4-fluorophenyl)-3-(3-iodo-4,5-dimethoxyphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(4-fluorophenyl)-3-(3-iodo-4,5-dimethoxyphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.