Cyano(3-phenoxyphenyl)methyl cyclopropyl(4-methylphenyl)acetate
TL;DR: Cyano(3-phenoxyphenyl)methyl cyclopropyl(4-methylphenyl)acetate (CAS 65363-07-7) is a chemical compound with molecular formula C26H23NO3 and molecular weight 397.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano-(3-phenoxyphenyl)methyl] 2-cyclopropyl-2-(4-methylphenyl)acetate
Also Known As: alpha-4-methylbenzeneaceticacidcyano methylester, alpha- -4-methylbenzeneaceticacidcyano methylester, alpha-(1-Cyclopropyl)-4-methylbenzeneacetic acid cyano(3-phenoxyphenyl)methyl ester, Cyano(3-phenoxyphenyl)methyl cyclopropyl(4-methylphenyl)acetate, Benzeneacetic acid, alpha-(1-cyclopropyl)-4-methyl-, cyano(3-phenoxyphenyl)methyl ester
| Molecular Formula | C26H23NO3 |
|---|---|
| Molecular Weight | 397.17 g/mol |
| LogP | 6.089 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.1678 |
| Heavy Atoms | 30 |
| Complexity | 1049.6417 |
Chemical Identifiers
| CAS Number | 65363-07-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C2CC2)C(=O)OC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4 |
Product Overview
Cyano(3-phenoxyphenyl)methyl cyclopropyl(4-methylphenyl)acetate (CAS 65363-07-7), with molecular formula C26H23NO3 and molecular weight 397.17 g/mol. IUPAC: [cyano-(3-phenoxyphenyl)methyl] 2-cyclopropyl-2-(4-methylphenyl)acetate.
Chemical Property Profile of Cyano(3-phenoxyphenyl)methyl cyclopropyl(4-methylphenyl)acetate
Property Insights of Cyano(3-phenoxyphenyl)methyl cyclopropyl(4-methylphenyl)acetate
The XLogP value of 6.089 indicates that Cyano(3-phenoxyphenyl)methyl cyclopropyl(4-methylphenyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.32 Ų, Cyano(3-phenoxyphenyl)methyl cyclopropyl(4-methylphenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyano(3-phenoxyphenyl)methyl cyclopropyl(4-methylphenyl)acetate has 0 hydrogen bond donor(s) and 4 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 cyclopropyl(4-methylphenyl)acetate?
The CAS number of Cyano(3-phenoxyphenyl)methyl cyclopropyl(4-methylphenyl)acetate is 65363-07-7.
What is the molecular formula of Cyano(3-phenoxyphenyl)methyl cyclopropyl(4-methylphenyl)acetate?
The molecular formula of Cyano(3-phenoxyphenyl)methyl cyclopropyl(4-methylphenyl)acetate is C26H23NO3.
What is the molecular weight of Cyano(3-phenoxyphenyl)methyl cyclopropyl(4-methylphenyl)acetate?
The molecular weight of Cyano(3-phenoxyphenyl)methyl cyclopropyl(4-methylphenyl)acetate is 397.17 g/mol.
Where can I buy Cyano(3-phenoxyphenyl)methyl cyclopropyl(4-methylphenyl)acetate?
You can request a quote for Cyano(3-phenoxyphenyl)methyl cyclopropyl(4-methylphenyl)acetate 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 cyclopropyl(4-methylphenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Cyano(3-phenoxyphenyl)methyl cyclopropyl(4-methylphenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.