![(2E)-3-[4-(butan-2-yloxy)-3-chloro-5-methoxyphenyl]-2-(4-fluorophenyl)prop-2-enenitrile structure](/static/products/801/801242-75-1.png)
(2E)-3-[4-(butan-2-yloxy)-3-chloro-5-methoxyphenyl]-2-(4-fluorophenyl)prop-2-enenitrile
TL;DR: (2E)-3-[4-(butan-2-yloxy)-3-chloro-5-methoxyphenyl]-2-(4-fluorophenyl)prop-2-enenitrile (CAS 801242-75-1) is a chemical compound with molecular formula C20H19ClFNO2 and molecular weight 359.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)-2-(4-fluorophenyl)prop-2-enenitrile
Also Known As: (2E)-3-[4-(butan-2-yloxy)-3-chloro-5-methoxyphenyl]-2-(4-fluorophenyl)prop-2-enenitrile, (E)-3-(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)-2-(4-fluorophenyl)prop-2-enenitrile
| Molecular Formula | C20H19ClFNO2 |
|---|---|
| Molecular Weight | 359.11 g/mol |
| LogP | 5.72918 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.10883 |
| Heavy Atoms | 25 |
| Complexity | 809.6813 |
Chemical Identifiers
| CAS Number | 801242-75-1 |
|---|---|
| SMILES | CCC(C)OC1=C(C=C(C=C1Cl)/C=C(/C#N)\C2=CC=C(C=C2)F)OC |
Product Overview
(2E)-3-[4-(butan-2-yloxy)-3-chloro-5-methoxyphenyl]-2-(4-fluorophenyl)prop-2-enenitrile (CAS 801242-75-1), with molecular formula C20H19ClFNO2 and molecular weight 359.11 g/mol. IUPAC: (E)-3-(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)-2-(4-fluorophenyl)prop-2-enenitrile.
Chemical Property Profile of (2E)-3-[4-(butan-2-yloxy)-3-chloro-5-methoxyphenyl]-2-(4-fluorophenyl)prop-2-enenitrile
Property Insights of (2E)-3-[4-(butan-2-yloxy)-3-chloro-5-methoxyphenyl]-2-(4-fluorophenyl)prop-2-enenitrile
The XLogP value of 5.72918 indicates that (2E)-3-[4-(butan-2-yloxy)-3-chloro-5-methoxyphenyl]-2-(4-fluorophenyl)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, (2E)-3-[4-(butan-2-yloxy)-3-chloro-5-methoxyphenyl]-2-(4-fluorophenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-[4-(butan-2-yloxy)-3-chloro-5-methoxyphenyl]-2-(4-fluorophenyl)prop-2-enenitrile has 0 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 (2E)-3-[4-(butan-2-yloxy)-3-chloro-5-methoxyphenyl]-2-(4-fluorophenyl)prop-2-enenitrile?
The CAS number of (2E)-3-[4-(butan-2-yloxy)-3-chloro-5-methoxyphenyl]-2-(4-fluorophenyl)prop-2-enenitrile is 801242-75-1.
What is the molecular formula of (2E)-3-[4-(butan-2-yloxy)-3-chloro-5-methoxyphenyl]-2-(4-fluorophenyl)prop-2-enenitrile?
The molecular formula of (2E)-3-[4-(butan-2-yloxy)-3-chloro-5-methoxyphenyl]-2-(4-fluorophenyl)prop-2-enenitrile is C20H19ClFNO2.
What is the molecular weight of (2E)-3-[4-(butan-2-yloxy)-3-chloro-5-methoxyphenyl]-2-(4-fluorophenyl)prop-2-enenitrile?
The molecular weight of (2E)-3-[4-(butan-2-yloxy)-3-chloro-5-methoxyphenyl]-2-(4-fluorophenyl)prop-2-enenitrile is 359.11 g/mol.
Where can I buy (2E)-3-[4-(butan-2-yloxy)-3-chloro-5-methoxyphenyl]-2-(4-fluorophenyl)prop-2-enenitrile?
You can request a quote for (2E)-3-[4-(butan-2-yloxy)-3-chloro-5-methoxyphenyl]-2-(4-fluorophenyl)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 (2E)-3-[4-(butan-2-yloxy)-3-chloro-5-methoxyphenyl]-2-(4-fluorophenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[4-(butan-2-yloxy)-3-chloro-5-methoxyphenyl]-2-(4-fluorophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.