(Cyano(3-phenoxyphenyl)methyl) 2-(4-fluorophenyl)-3-methylbutanoate
TL;DR: (Cyano(3-phenoxyphenyl)methyl) 2-(4-fluorophenyl)-3-methylbutanoate (CAS 51629-93-7) is a chemical compound with molecular formula C25H22FNO3 and molecular weight 403.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano-(3-phenoxyphenyl)methyl] 2-(4-fluorophenyl)-3-methylbutanoate
Also Known As: (Cyano(3-phenoxyphenyl)methyl) 2-(4-fluorophenyl)-3-methylbutanoate, [cyano-(3-phenoxyphenyl)methyl] 2-(4-fluorophenyl)-3-methyl-butanoate, [cyano-(3-phenoxyphenyl)methyl] 2-(4-fluorophenyl)-3-methylbutanoate, Cyano(3-phenoxyphenyl)methyl 2-(4-fluorophenyl)-3-methylbutanoate
| Molecular Formula | C25H22FNO3 |
|---|---|
| Molecular Weight | 403.16 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 403.1584 |
| Heavy Atoms | 30 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 51629-93-7 |
|---|---|
| SMILES | CC(C)C(C1=CC=C(C=C1)F)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3 |
| InChIKey | JOWAXZKVLMOYJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(Cyano(3-phenoxyphenyl)methyl) 2-(4-fluorophenyl)-3-methylbutanoate (CAS 51629-93-7), with molecular formula C25H22FNO3 and molecular weight 403.16 g/mol. IUPAC: [cyano-(3-phenoxyphenyl)methyl] 2-(4-fluorophenyl)-3-methylbutanoate.
Chemical Property Profile of (Cyano(3-phenoxyphenyl)methyl) 2-(4-fluorophenyl)-3-methylbutanoate
Property Insights of (Cyano(3-phenoxyphenyl)methyl) 2-(4-fluorophenyl)-3-methylbutanoate
The XLogP value of 5.7 indicates that (Cyano(3-phenoxyphenyl)methyl) 2-(4-fluorophenyl)-3-methylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, (Cyano(3-phenoxyphenyl)methyl) 2-(4-fluorophenyl)-3-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Cyano(3-phenoxyphenyl)methyl) 2-(4-fluorophenyl)-3-methylbutanoate has 0 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-phenoxyphenyl)methyl) 2-(4-fluorophenyl)-3-methylbutanoate?
The CAS number of (Cyano(3-phenoxyphenyl)methyl) 2-(4-fluorophenyl)-3-methylbutanoate is 51629-93-7.
What is the molecular formula of (Cyano(3-phenoxyphenyl)methyl) 2-(4-fluorophenyl)-3-methylbutanoate?
The molecular formula of (Cyano(3-phenoxyphenyl)methyl) 2-(4-fluorophenyl)-3-methylbutanoate is C25H22FNO3.
What is the molecular weight of (Cyano(3-phenoxyphenyl)methyl) 2-(4-fluorophenyl)-3-methylbutanoate?
The molecular weight of (Cyano(3-phenoxyphenyl)methyl) 2-(4-fluorophenyl)-3-methylbutanoate is 403.16 g/mol.
Where can I buy (Cyano(3-phenoxyphenyl)methyl) 2-(4-fluorophenyl)-3-methylbutanoate?
You can request a quote for (Cyano(3-phenoxyphenyl)methyl) 2-(4-fluorophenyl)-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-phenoxyphenyl)methyl) 2-(4-fluorophenyl)-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for (Cyano(3-phenoxyphenyl)methyl) 2-(4-fluorophenyl)-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.