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cyano[3-(2-hydroxyphenoxy)phenyl]methyl 2-(4-chlorophenyl)-3-methylbutanoate
TL;DR: cyano[3-(2-hydroxyphenoxy)phenyl]methyl 2-(4-chlorophenyl)-3-methylbutanoate (CAS 92986-82-8) is a chemical compound with molecular formula C25H22ClNO4 and molecular weight 435.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano-[3-(2-hydroxyphenoxy)phenyl]methyl] 2-(4-chlorophenyl)-3-methylbutanoate
Also Known As: cyano[3-(2-hydroxyphenoxy)phenyl]methyl 2-(4-chlorophenyl)-3-methylbutanoate, Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-, cyano(3-(2-hydroxyphenoxy)phenyl)methyl ester, [cyano-[3-(2-hydroxyphenoxy)phenyl]methyl] 2-(4-chlorophenyl)-3-methylbutanoate, [cyano-[3-(2-hydroxyphenoxy)phenyl]methyl] 2-(4-chlorophenyl)-3-methyl-butanoate, RefChem:324228
| Molecular Formula | C25H22ClNO4 |
|---|---|
| Molecular Weight | 435.12 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 79.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 435.12375 |
| Heavy Atoms | 31 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 92986-82-8 |
|---|---|
| SMILES | CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3O |
| InChIKey | DGQZGRIBSTXBJK-UHFFFAOYSA-N |
Product Overview
cyano[3-(2-hydroxyphenoxy)phenyl]methyl 2-(4-chlorophenyl)-3-methylbutanoate (CAS 92986-82-8), with molecular formula C25H22ClNO4 and molecular weight 435.12 g/mol. IUPAC: [cyano-[3-(2-hydroxyphenoxy)phenyl]methyl] 2-(4-chlorophenyl)-3-methylbutanoate.
Chemical Property Profile of cyano[3-(2-hydroxyphenoxy)phenyl]methyl 2-(4-chlorophenyl)-3-methylbutanoate
Property Insights of cyano[3-(2-hydroxyphenoxy)phenyl]methyl 2-(4-chlorophenyl)-3-methylbutanoate
The XLogP value of 5.8 indicates that cyano[3-(2-hydroxyphenoxy)phenyl]methyl 2-(4-chlorophenyl)-3-methylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.6 Ų falls within the moderate polarity range, balancing permeability and solubility for cyano[3-(2-hydroxyphenoxy)phenyl]methyl 2-(4-chlorophenyl)-3-methylbutanoate. Following Lipinski's Rule of Five, cyano[3-(2-hydroxyphenoxy)phenyl]methyl 2-(4-chlorophenyl)-3-methylbutanoate 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 cyano[3-(2-hydroxyphenoxy)phenyl]methyl 2-(4-chlorophenyl)-3-methylbutanoate?
The CAS number of cyano[3-(2-hydroxyphenoxy)phenyl]methyl 2-(4-chlorophenyl)-3-methylbutanoate is 92986-82-8.
What is the molecular formula of cyano[3-(2-hydroxyphenoxy)phenyl]methyl 2-(4-chlorophenyl)-3-methylbutanoate?
The molecular formula of cyano[3-(2-hydroxyphenoxy)phenyl]methyl 2-(4-chlorophenyl)-3-methylbutanoate is C25H22ClNO4.
What is the molecular weight of cyano[3-(2-hydroxyphenoxy)phenyl]methyl 2-(4-chlorophenyl)-3-methylbutanoate?
The molecular weight of cyano[3-(2-hydroxyphenoxy)phenyl]methyl 2-(4-chlorophenyl)-3-methylbutanoate is 435.12 g/mol.
Where can I buy cyano[3-(2-hydroxyphenoxy)phenyl]methyl 2-(4-chlorophenyl)-3-methylbutanoate?
You can request a quote for cyano[3-(2-hydroxyphenoxy)phenyl]methyl 2-(4-chlorophenyl)-3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cyano[3-(2-hydroxyphenoxy)phenyl]methyl 2-(4-chlorophenyl)-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for cyano[3-(2-hydroxyphenoxy)phenyl]methyl 2-(4-chlorophenyl)-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.