(Z)-3-((3-butoxyphenyl)amino)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile
TL;DR: (Z)-3-((3-butoxyphenyl)amino)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile (CAS 477186-38-2) is a chemical compound with molecular formula C22H20FN3OS and molecular weight 393.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(3-butoxyanilino)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: (Z)-3-((3-butoxyphenyl)amino)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile, F0760-1778, (2Z)-3-[(3-butoxyphenyl)amino]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, (Z)-3-(3-butoxyanilino)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C22H20FN3OS |
|---|---|
| Molecular Weight | 393.13 g/mol |
| LogP | 6.10468 |
| Topological Polar Surface Area | 57.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 393.1311 |
| Heavy Atoms | 28 |
| Complexity | 989.5165 |
Chemical Identifiers
| CAS Number | 477186-38-2 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)N/C=C(/C#N)\C2=NC(=CS2)C3=CC=C(C=C3)F |
Product Overview
(Z)-3-((3-butoxyphenyl)amino)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile (CAS 477186-38-2), with molecular formula C22H20FN3OS and molecular weight 393.13 g/mol. IUPAC: (Z)-3-(3-butoxyanilino)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of (Z)-3-((3-butoxyphenyl)amino)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile
Property Insights of (Z)-3-((3-butoxyphenyl)amino)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile
The XLogP value of 6.10468 indicates that (Z)-3-((3-butoxyphenyl)amino)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.94 Ų, (Z)-3-((3-butoxyphenyl)amino)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-3-((3-butoxyphenyl)amino)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-3-((3-butoxyphenyl)amino)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile?
The CAS number of (Z)-3-((3-butoxyphenyl)amino)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile is 477186-38-2.
What is the molecular formula of (Z)-3-((3-butoxyphenyl)amino)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile?
The molecular formula of (Z)-3-((3-butoxyphenyl)amino)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile is C22H20FN3OS.
What is the molecular weight of (Z)-3-((3-butoxyphenyl)amino)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile?
The molecular weight of (Z)-3-((3-butoxyphenyl)amino)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile is 393.13 g/mol.
Where can I buy (Z)-3-((3-butoxyphenyl)amino)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile?
You can request a quote for (Z)-3-((3-butoxyphenyl)amino)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-((3-butoxyphenyl)amino)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-((3-butoxyphenyl)amino)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.