Cyano(3-phenoxyphenyl)methyl (4-bromophenyl)(cyclopropyl)acetate
TL;DR: Cyano(3-phenoxyphenyl)methyl (4-bromophenyl)(cyclopropyl)acetate (CAS 65363-04-4) is a chemical compound with molecular formula C25H20BrNO3 and molecular weight 461.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano-(3-phenoxyphenyl)methyl] 2-(4-bromophenyl)-2-cyclopropylacetate
Also Known As: Benzeneacetic acid, 4-bromo-alpha-(1-cyclopropyl)-, cyano(3-phenoxyphenyl)methyl ester, Cyano(3-phenoxyphenyl)methyl (4-bromophenyl)(cyclopropyl)acetate, [cyano-(3-phenoxyphenyl)methyl] 2-(4-bromophenyl)-2-cyclopropylacetate, cyano(3-phenoxyphenyl)methyl 2-(4-bromophenyl)-2-cyclopropylacetate, 4-Bromo-alpha-cyclopropylbenzeneacetic acid cyano(3-phenoxyphenyl)methyl ester
| Molecular Formula | C25H20BrNO3 |
|---|---|
| Molecular Weight | 461.06 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 461.06265 |
| Heavy Atoms | 30 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 65363-04-4 |
|---|---|
| SMILES | C1CC1C(C2=CC=C(C=C2)Br)C(=O)OC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4 |
| InChIKey | QTNOMFMTNYPFMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyano(3-phenoxyphenyl)methyl (4-bromophenyl)(cyclopropyl)acetate (CAS 65363-04-4), with molecular formula C25H20BrNO3 and molecular weight 461.06 g/mol. IUPAC: [cyano-(3-phenoxyphenyl)methyl] 2-(4-bromophenyl)-2-cyclopropylacetate.
Chemical Property Profile of Cyano(3-phenoxyphenyl)methyl (4-bromophenyl)(cyclopropyl)acetate
Property Insights of Cyano(3-phenoxyphenyl)methyl (4-bromophenyl)(cyclopropyl)acetate
The XLogP value of 6.0 indicates that Cyano(3-phenoxyphenyl)methyl (4-bromophenyl)(cyclopropyl)acetate 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 (4-bromophenyl)(cyclopropyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyano(3-phenoxyphenyl)methyl (4-bromophenyl)(cyclopropyl)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 (4-bromophenyl)(cyclopropyl)acetate?
The CAS number of Cyano(3-phenoxyphenyl)methyl (4-bromophenyl)(cyclopropyl)acetate is 65363-04-4.
What is the molecular formula of Cyano(3-phenoxyphenyl)methyl (4-bromophenyl)(cyclopropyl)acetate?
The molecular formula of Cyano(3-phenoxyphenyl)methyl (4-bromophenyl)(cyclopropyl)acetate is C25H20BrNO3.
What is the molecular weight of Cyano(3-phenoxyphenyl)methyl (4-bromophenyl)(cyclopropyl)acetate?
The molecular weight of Cyano(3-phenoxyphenyl)methyl (4-bromophenyl)(cyclopropyl)acetate is 461.06 g/mol.
Where can I buy Cyano(3-phenoxyphenyl)methyl (4-bromophenyl)(cyclopropyl)acetate?
You can request a quote for Cyano(3-phenoxyphenyl)methyl (4-bromophenyl)(cyclopropyl)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 (4-bromophenyl)(cyclopropyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Cyano(3-phenoxyphenyl)methyl (4-bromophenyl)(cyclopropyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.