2,4-Dibromophenyl cyclohexanecarboxylate
TL;DR: 2,4-Dibromophenyl cyclohexanecarboxylate (CAS 104316-40-7) is a chemical compound with molecular formula C13H14Br2O2 and molecular weight 359.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dibromophenyl) cyclohexanecarboxylate
Also Known As: 2,4-dibromophenyl cyclohexanecarboxylate, (2,4-dibromophenyl) cyclohexanecarboxylate, AO-854/40001935
| Molecular Formula | C13H14Br2O2 |
|---|---|
| Molecular Weight | 359.94 g/mol |
| LogP | 4.6973 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.93604 |
| Heavy Atoms | 17 |
| Complexity | 411.88052 |
Chemical Identifiers
| CAS Number | 104316-40-7 |
|---|---|
| SMILES | C1CCC(CC1)C(=O)OC2=C(C=C(C=C2)Br)Br |
Product Overview
2,4-Dibromophenyl cyclohexanecarboxylate (CAS 104316-40-7), with molecular formula C13H14Br2O2 and molecular weight 359.94 g/mol. IUPAC: (2,4-dibromophenyl) cyclohexanecarboxylate.
Chemical Property Profile of 2,4-Dibromophenyl cyclohexanecarboxylate
Property Insights of 2,4-Dibromophenyl cyclohexanecarboxylate
The XLogP value of 4.6973 indicates that 2,4-Dibromophenyl cyclohexanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,4-Dibromophenyl cyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dibromophenyl cyclohexanecarboxylate has 0 hydrogen bond donor(s) and 2 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-Dibromophenyl cyclohexanecarboxylate?
The CAS number of 2,4-Dibromophenyl cyclohexanecarboxylate is 104316-40-7.
What is the molecular formula of 2,4-Dibromophenyl cyclohexanecarboxylate?
The molecular formula of 2,4-Dibromophenyl cyclohexanecarboxylate is C13H14Br2O2.
What is the molecular weight of 2,4-Dibromophenyl cyclohexanecarboxylate?
The molecular weight of 2,4-Dibromophenyl cyclohexanecarboxylate is 359.94 g/mol.
Where can I buy 2,4-Dibromophenyl cyclohexanecarboxylate?
You can request a quote for 2,4-Dibromophenyl cyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dibromophenyl cyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dibromophenyl cyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.