2-(4-Bromophenyl)-2-oxoethyl 4-butylcyclohexanecarboxylate
TL;DR: 2-(4-Bromophenyl)-2-oxoethyl 4-butylcyclohexanecarboxylate (CAS 314034-13-4) is a chemical compound with molecular formula C19H25BrO3 and molecular weight 380.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] 4-butylcyclohexane-1-carboxylate
Also Known As: TimTec1_006535, BAS 00395796, 2-(4-bromophenyl)-2-oxoethyl 4-butylcyclohexanecarboxylate, [2-(4-bromophenyl)-2-oxoethyl] 4-butylcyclohexane-1-carboxylate, 4-Butylcyclohexanecarboxylic acid 4-bromophenacyl ester
| Molecular Formula | C19H25BrO3 |
|---|---|
| Molecular Weight | 380.10 g/mol |
| LogP | 5.1716 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 380.09872 |
| Heavy Atoms | 23 |
| Complexity | 515.9212 |
Chemical Identifiers
| CAS Number | 314034-13-4 |
|---|---|
| SMILES | CCCCC1CCC(CC1)C(=O)OCC(=O)C2=CC=C(C=C2)Br |
Product Overview
2-(4-Bromophenyl)-2-oxoethyl 4-butylcyclohexanecarboxylate (CAS 314034-13-4), with molecular formula C19H25BrO3 and molecular weight 380.10 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 4-butylcyclohexane-1-carboxylate.
Chemical Property Profile of 2-(4-Bromophenyl)-2-oxoethyl 4-butylcyclohexanecarboxylate
Property Insights of 2-(4-Bromophenyl)-2-oxoethyl 4-butylcyclohexanecarboxylate
The XLogP value of 5.1716 indicates that 2-(4-Bromophenyl)-2-oxoethyl 4-butylcyclohexanecarboxylate 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-Bromophenyl)-2-oxoethyl 4-butylcyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2-oxoethyl 4-butylcyclohexanecarboxylate 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-Bromophenyl)-2-oxoethyl 4-butylcyclohexanecarboxylate?
The CAS number of 2-(4-Bromophenyl)-2-oxoethyl 4-butylcyclohexanecarboxylate is 314034-13-4.
What is the molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 4-butylcyclohexanecarboxylate?
The molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 4-butylcyclohexanecarboxylate is C19H25BrO3.
What is the molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 4-butylcyclohexanecarboxylate?
The molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 4-butylcyclohexanecarboxylate is 380.10 g/mol.
Where can I buy 2-(4-Bromophenyl)-2-oxoethyl 4-butylcyclohexanecarboxylate?
You can request a quote for 2-(4-Bromophenyl)-2-oxoethyl 4-butylcyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromophenyl)-2-oxoethyl 4-butylcyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-2-oxoethyl 4-butylcyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.