(E)-ethyl 3-(3-bromo-4-(2-(4-cyclohexylphenoxy)ethoxy)-5-methoxyphenyl)-2-cyanoacrylate
TL;DR: (E)-ethyl 3-(3-bromo-4-(2-(4-cyclohexylphenoxy)ethoxy)-5-methoxyphenyl)-2-cyanoacrylate (CAS 488804-24-6) is a chemical compound with molecular formula C27H30BrNO5 and molecular weight 527.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-[3-bromo-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl]-2-cyanoprop-2-enoate
Also Known As: (E)-ethyl 3-(3-bromo-4-(2-(4-cyclohexylphenoxy)ethoxy)-5-methoxyphenyl)-2-cyanoacrylate, ethyl (2E)-3-{3-bromo-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl}-2-cyanoprop-2-enoate, ethyl (E)-3-[3-bromo-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl]-2-cyanoprop-2-enoate, Ethyl 3-[3-bromo-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxy-phenyl]-2-cyano-prop-2-enoate
| Molecular Formula | C27H30BrNO5 |
|---|---|
| Molecular Weight | 527.13 g/mol |
| LogP | 6.43328 |
| Topological Polar Surface Area | 77.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 527.13074 |
| Heavy Atoms | 34 |
| Complexity | 1036.2213 |
Chemical Identifiers
| CAS Number | 488804-24-6 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=CC(=C(C(=C1)Br)OCCOC2=CC=C(C=C2)C3CCCCC3)OC)/C#N |
Product Overview
(E)-ethyl 3-(3-bromo-4-(2-(4-cyclohexylphenoxy)ethoxy)-5-methoxyphenyl)-2-cyanoacrylate (CAS 488804-24-6), with molecular formula C27H30BrNO5 and molecular weight 527.13 g/mol. IUPAC: ethyl (E)-3-[3-bromo-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl]-2-cyanoprop-2-enoate.
Chemical Property Profile of (E)-ethyl 3-(3-bromo-4-(2-(4-cyclohexylphenoxy)ethoxy)-5-methoxyphenyl)-2-cyanoacrylate
Property Insights of (E)-ethyl 3-(3-bromo-4-(2-(4-cyclohexylphenoxy)ethoxy)-5-methoxyphenyl)-2-cyanoacrylate
The XLogP value of 6.43328 indicates that (E)-ethyl 3-(3-bromo-4-(2-(4-cyclohexylphenoxy)ethoxy)-5-methoxyphenyl)-2-cyanoacrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.78 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 3-(3-bromo-4-(2-(4-cyclohexylphenoxy)ethoxy)-5-methoxyphenyl)-2-cyanoacrylate. Following Lipinski's Rule of Five, (E)-ethyl 3-(3-bromo-4-(2-(4-cyclohexylphenoxy)ethoxy)-5-methoxyphenyl)-2-cyanoacrylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-ethyl 3-(3-bromo-4-(2-(4-cyclohexylphenoxy)ethoxy)-5-methoxyphenyl)-2-cyanoacrylate?
The CAS number of (E)-ethyl 3-(3-bromo-4-(2-(4-cyclohexylphenoxy)ethoxy)-5-methoxyphenyl)-2-cyanoacrylate is 488804-24-6.
What is the molecular formula of (E)-ethyl 3-(3-bromo-4-(2-(4-cyclohexylphenoxy)ethoxy)-5-methoxyphenyl)-2-cyanoacrylate?
The molecular formula of (E)-ethyl 3-(3-bromo-4-(2-(4-cyclohexylphenoxy)ethoxy)-5-methoxyphenyl)-2-cyanoacrylate is C27H30BrNO5.
What is the molecular weight of (E)-ethyl 3-(3-bromo-4-(2-(4-cyclohexylphenoxy)ethoxy)-5-methoxyphenyl)-2-cyanoacrylate?
The molecular weight of (E)-ethyl 3-(3-bromo-4-(2-(4-cyclohexylphenoxy)ethoxy)-5-methoxyphenyl)-2-cyanoacrylate is 527.13 g/mol.
Where can I buy (E)-ethyl 3-(3-bromo-4-(2-(4-cyclohexylphenoxy)ethoxy)-5-methoxyphenyl)-2-cyanoacrylate?
You can request a quote for (E)-ethyl 3-(3-bromo-4-(2-(4-cyclohexylphenoxy)ethoxy)-5-methoxyphenyl)-2-cyanoacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 3-(3-bromo-4-(2-(4-cyclohexylphenoxy)ethoxy)-5-methoxyphenyl)-2-cyanoacrylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 3-(3-bromo-4-(2-(4-cyclohexylphenoxy)ethoxy)-5-methoxyphenyl)-2-cyanoacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.