(Z)-ethyl 3-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxyphenyl)-2-cyanoacrylate
TL;DR: (Z)-ethyl 3-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxyphenyl)-2-cyanoacrylate (CAS 356091-44-6) is a chemical compound with molecular formula C18H15ClFN3O4 and molecular weight 391.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-3-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]-2-cyanoprop-2-enoate
Also Known As: (Z)-ethyl 3-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxyphenyl)-2-cyanoacrylate, ethyl (Z)-3-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]-2-cyanoprop-2-enoate, ethyl (2Z)-3-[4-(2-chloro-5-fluoropyrimidin-4-yloxy)-3-ethoxyphenyl]-2-cyanopr op-2-enoate
| Molecular Formula | C18H15ClFN3O4 |
|---|---|
| Molecular Weight | 391.07 g/mol |
| LogP | 3.93018 |
| Topological Polar Surface Area | 94.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 391.07352 |
| Heavy Atoms | 27 |
| Complexity | 911.96515 |
Chemical Identifiers
| CAS Number | 356091-44-6 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C(/C#N)\C(=O)OCC)OC2=NC(=NC=C2F)Cl |
Product Overview
(Z)-ethyl 3-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxyphenyl)-2-cyanoacrylate (CAS 356091-44-6), with molecular formula C18H15ClFN3O4 and molecular weight 391.07 g/mol. IUPAC: ethyl (Z)-3-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]-2-cyanoprop-2-enoate.
Chemical Property Profile of (Z)-ethyl 3-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxyphenyl)-2-cyanoacrylate
Property Insights of (Z)-ethyl 3-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxyphenyl)-2-cyanoacrylate
The XLogP value of 3.93018 indicates that (Z)-ethyl 3-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxyphenyl)-2-cyanoacrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.33 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 3-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxyphenyl)-2-cyanoacrylate. Following Lipinski's Rule of Five, (Z)-ethyl 3-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxyphenyl)-2-cyanoacrylate has 0 hydrogen bond donor(s) and 7 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 (Z)-ethyl 3-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxyphenyl)-2-cyanoacrylate?
The CAS number of (Z)-ethyl 3-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxyphenyl)-2-cyanoacrylate is 356091-44-6.
What is the molecular formula of (Z)-ethyl 3-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxyphenyl)-2-cyanoacrylate?
The molecular formula of (Z)-ethyl 3-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxyphenyl)-2-cyanoacrylate is C18H15ClFN3O4.
What is the molecular weight of (Z)-ethyl 3-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxyphenyl)-2-cyanoacrylate?
The molecular weight of (Z)-ethyl 3-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxyphenyl)-2-cyanoacrylate is 391.07 g/mol.
Where can I buy (Z)-ethyl 3-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxyphenyl)-2-cyanoacrylate?
You can request a quote for (Z)-ethyl 3-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxyphenyl)-2-cyanoacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-ethyl 3-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxyphenyl)-2-cyanoacrylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 3-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxyphenyl)-2-cyanoacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.