2-(4-Bromophenyl)-2-oxoethyl 2-cyclohexene-1-carboxylate
TL;DR: 2-(4-Bromophenyl)-2-oxoethyl 2-cyclohexene-1-carboxylate (CAS 329195-88-2) is a chemical compound with molecular formula C15H15BrO3 and molecular weight 322.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] cyclohex-2-ene-1-carboxylate
Also Known As: 2-(4-bromophenyl)-2-oxoethyl 2-cyclohexene-1-carboxylate, [2-(4-bromophenyl)-2-oxoethyl] cyclohex-2-ene-1-carboxylate, 2-(4-bromophenyl)-2-oxoethyl cyclohex-2-enecarboxylate
| Molecular Formula | C15H15BrO3 |
|---|---|
| Molecular Weight | 322.02 g/mol |
| LogP | 3.5313 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.02045 |
| Heavy Atoms | 19 |
| Complexity | 490.61707 |
Chemical Identifiers
| CAS Number | 329195-88-2 |
|---|---|
| SMILES | C1CC=CC(C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br |
Product Overview
2-(4-Bromophenyl)-2-oxoethyl 2-cyclohexene-1-carboxylate (CAS 329195-88-2), with molecular formula C15H15BrO3 and molecular weight 322.02 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] cyclohex-2-ene-1-carboxylate.
Chemical Property Profile of 2-(4-Bromophenyl)-2-oxoethyl 2-cyclohexene-1-carboxylate
Property Insights of 2-(4-Bromophenyl)-2-oxoethyl 2-cyclohexene-1-carboxylate
The XLogP value of 3.5313 indicates that 2-(4-Bromophenyl)-2-oxoethyl 2-cyclohexene-1-carboxylate 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 2-cyclohexene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2-oxoethyl 2-cyclohexene-1-carboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Bromophenyl)-2-oxoethyl 2-cyclohexene-1-carboxylate?
The CAS number of 2-(4-Bromophenyl)-2-oxoethyl 2-cyclohexene-1-carboxylate is 329195-88-2.
What is the molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 2-cyclohexene-1-carboxylate?
The molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 2-cyclohexene-1-carboxylate is C15H15BrO3.
What is the molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 2-cyclohexene-1-carboxylate?
The molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 2-cyclohexene-1-carboxylate is 322.02 g/mol.
Where can I buy 2-(4-Bromophenyl)-2-oxoethyl 2-cyclohexene-1-carboxylate?
You can request a quote for 2-(4-Bromophenyl)-2-oxoethyl 2-cyclohexene-1-carboxylate 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 2-cyclohexene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-2-oxoethyl 2-cyclohexene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.