2-(4'-Bromobiphenyl-4-yl)-2-oxoethyl 4-butylcyclohexanecarboxylate
TL;DR: 2-(4'-Bromobiphenyl-4-yl)-2-oxoethyl 4-butylcyclohexanecarboxylate (CAS 313492-34-1) is a chemical compound with molecular formula C25H29BrO3 and molecular weight 456.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl] 4-butylcyclohexane-1-carboxylate
Also Known As: BAS 00395798, 2-(4'-bromobiphenyl-4-yl)-2-oxoethyl 4-butylcyclohexanecarboxylate, [2-[4-(4-bromophenyl)phenyl]-2-oxoethyl] 4-butylcyclohexane-1-carboxylate, 2-(4'-bromo-[1,1'-biphenyl]-4-yl)-2-oxoethyl 4-butylcyclohexanecarboxylate, 2-{4'-BROMO-[1,1'-BIPHENYL]-4-YL}-2-OXOETHYL 4-BUTYLCYCLOHEXANE-1-CARBOXYLATE
| Molecular Formula | C25H29BrO3 |
|---|---|
| Molecular Weight | 456.13 g/mol |
| LogP | 6.8386 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 456.13 |
| Heavy Atoms | 29 |
| Complexity | 802.96704 |
Chemical Identifiers
| CAS Number | 313492-34-1 |
|---|---|
| SMILES | CCCCC1CCC(CC1)C(=O)OCC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br |
Product Overview
2-(4'-Bromobiphenyl-4-yl)-2-oxoethyl 4-butylcyclohexanecarboxylate (CAS 313492-34-1), with molecular formula C25H29BrO3 and molecular weight 456.13 g/mol. IUPAC: [2-[4-(4-bromophenyl)phenyl]-2-oxoethyl] 4-butylcyclohexane-1-carboxylate.
Chemical Property Profile of 2-(4'-Bromobiphenyl-4-yl)-2-oxoethyl 4-butylcyclohexanecarboxylate
Property Insights of 2-(4'-Bromobiphenyl-4-yl)-2-oxoethyl 4-butylcyclohexanecarboxylate
The XLogP value of 6.8386 indicates that 2-(4'-Bromobiphenyl-4-yl)-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'-Bromobiphenyl-4-yl)-2-oxoethyl 4-butylcyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4'-Bromobiphenyl-4-yl)-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'-Bromobiphenyl-4-yl)-2-oxoethyl 4-butylcyclohexanecarboxylate?
The CAS number of 2-(4'-Bromobiphenyl-4-yl)-2-oxoethyl 4-butylcyclohexanecarboxylate is 313492-34-1.
What is the molecular formula of 2-(4'-Bromobiphenyl-4-yl)-2-oxoethyl 4-butylcyclohexanecarboxylate?
The molecular formula of 2-(4'-Bromobiphenyl-4-yl)-2-oxoethyl 4-butylcyclohexanecarboxylate is C25H29BrO3.
What is the molecular weight of 2-(4'-Bromobiphenyl-4-yl)-2-oxoethyl 4-butylcyclohexanecarboxylate?
The molecular weight of 2-(4'-Bromobiphenyl-4-yl)-2-oxoethyl 4-butylcyclohexanecarboxylate is 456.13 g/mol.
Where can I buy 2-(4'-Bromobiphenyl-4-yl)-2-oxoethyl 4-butylcyclohexanecarboxylate?
You can request a quote for 2-(4'-Bromobiphenyl-4-yl)-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'-Bromobiphenyl-4-yl)-2-oxoethyl 4-butylcyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4'-Bromobiphenyl-4-yl)-2-oxoethyl 4-butylcyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.