Butanoic acid, 2-(4-methoxyphenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl eter
TL;DR: Butanoic acid, 2-(4-methoxyphenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl eter (CAS 63439-08-7) is a chemical compound with molecular formula C26H25NO5 and molecular weight 431.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano-(3-phenoxyphenyl)methyl] 2-(4-methoxyphenoxy)-3-methylbutanoate
Also Known As: Butanoic acid, 2-(4-methoxyphenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl eter, Cyano(3-phenoxyphenyl)methyl 2-(4-methoxyphenoxy)-3-methylbutanoate, [cyano-(3-phenoxyphenyl)methyl] 2-(4-methoxyphenoxy)-3-methyl-butanoate, [cyano-(3-phenoxyphenyl)methyl] 2-(4-methoxyphenoxy)-3-methylbutanoate
| Molecular Formula | C26H25NO5 |
|---|---|
| Molecular Weight | 431.17 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 431.17328 |
| Heavy Atoms | 32 |
| Complexity | 615.0 |
Chemical Identifiers
| CAS Number | 63439-08-7 |
|---|---|
| SMILES | CC(C)C(C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)OC3=CC=C(C=C3)OC |
| InChIKey | NWPBFZVYBOFTMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 2-(4-methoxyphenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl eter (CAS 63439-08-7), with molecular formula C26H25NO5 and molecular weight 431.17 g/mol. IUPAC: [cyano-(3-phenoxyphenyl)methyl] 2-(4-methoxyphenoxy)-3-methylbutanoate.
Chemical Property Profile of Butanoic acid, 2-(4-methoxyphenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl eter
Property Insights of Butanoic acid, 2-(4-methoxyphenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl eter
The XLogP value of 5.6 indicates that Butanoic acid, 2-(4-methoxyphenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl eter is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 2-(4-methoxyphenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl eter. Following Lipinski's Rule of Five, Butanoic acid, 2-(4-methoxyphenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl eter 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 Butanoic acid, 2-(4-methoxyphenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl eter?
The CAS number of Butanoic acid, 2-(4-methoxyphenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl eter is 63439-08-7.
What is the molecular formula of Butanoic acid, 2-(4-methoxyphenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl eter?
The molecular formula of Butanoic acid, 2-(4-methoxyphenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl eter is C26H25NO5.
What is the molecular weight of Butanoic acid, 2-(4-methoxyphenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl eter?
The molecular weight of Butanoic acid, 2-(4-methoxyphenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl eter is 431.17 g/mol.
Where can I buy Butanoic acid, 2-(4-methoxyphenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl eter?
You can request a quote for Butanoic acid, 2-(4-methoxyphenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl eter directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 2-(4-methoxyphenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl eter?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 2-(4-methoxyphenoxy)-3-methyl-, cyano(3-phenoxyphenyl)methyl eter and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.