2-(4-Cyclohexylphenyl)-2-oxoethyl 2-bromobenzoate
TL;DR: 2-(4-Cyclohexylphenyl)-2-oxoethyl 2-bromobenzoate (CAS 433694-49-6) is a chemical compound with molecular formula C21H21BrO3 and molecular weight 400.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-bromobenzoate
Also Known As: 2-(4-cyclohexylphenyl)-2-oxoethyl 2-bromobenzoate, [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-bromobenzoate
| Molecular Formula | C21H21BrO3 |
|---|---|
| Molecular Weight | 400.07 g/mol |
| LogP | 5.5365 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.0674 |
| Heavy Atoms | 25 |
| Complexity | 745.9914 |
Chemical Identifiers
| CAS Number | 433694-49-6 |
|---|---|
| SMILES | C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=CC=C3Br |
Product Overview
2-(4-Cyclohexylphenyl)-2-oxoethyl 2-bromobenzoate (CAS 433694-49-6), with molecular formula C21H21BrO3 and molecular weight 400.07 g/mol. IUPAC: [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-bromobenzoate.
Chemical Property Profile of 2-(4-Cyclohexylphenyl)-2-oxoethyl 2-bromobenzoate
Property Insights of 2-(4-Cyclohexylphenyl)-2-oxoethyl 2-bromobenzoate
The XLogP value of 5.5365 indicates that 2-(4-Cyclohexylphenyl)-2-oxoethyl 2-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2-(4-Cyclohexylphenyl)-2-oxoethyl 2-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Cyclohexylphenyl)-2-oxoethyl 2-bromobenzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Cyclohexylphenyl)-2-oxoethyl 2-bromobenzoate?
The CAS number of 2-(4-Cyclohexylphenyl)-2-oxoethyl 2-bromobenzoate is 433694-49-6.
What is the molecular formula of 2-(4-Cyclohexylphenyl)-2-oxoethyl 2-bromobenzoate?
The molecular formula of 2-(4-Cyclohexylphenyl)-2-oxoethyl 2-bromobenzoate is C21H21BrO3.
What is the molecular weight of 2-(4-Cyclohexylphenyl)-2-oxoethyl 2-bromobenzoate?
The molecular weight of 2-(4-Cyclohexylphenyl)-2-oxoethyl 2-bromobenzoate is 400.07 g/mol.
Where can I buy 2-(4-Cyclohexylphenyl)-2-oxoethyl 2-bromobenzoate?
You can request a quote for 2-(4-Cyclohexylphenyl)-2-oxoethyl 2-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Cyclohexylphenyl)-2-oxoethyl 2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Cyclohexylphenyl)-2-oxoethyl 2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.