4-Bromophenyl 4-methylcyclohexanecarboxylate
TL;DR: 4-Bromophenyl 4-methylcyclohexanecarboxylate (CAS 313558-22-4) is a chemical compound with molecular formula C14H17BrO2 and molecular weight 296.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl) 4-methylcyclohexane-1-carboxylate
Also Known As: 4-bromophenyl 4-methylcyclohexanecarboxylate, (4-bromophenyl) 4-methylcyclohexane-1-carboxylate
| Molecular Formula | C14H17BrO2 |
|---|---|
| Molecular Weight | 296.04 g/mol |
| LogP | 4.1808 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.0412 |
| Heavy Atoms | 17 |
| Complexity | 377.71362 |
Chemical Identifiers
| CAS Number | 313558-22-4 |
|---|---|
| SMILES | CC1CCC(CC1)C(=O)OC2=CC=C(C=C2)Br |
Product Overview
4-Bromophenyl 4-methylcyclohexanecarboxylate (CAS 313558-22-4), with molecular formula C14H17BrO2 and molecular weight 296.04 g/mol. IUPAC: (4-bromophenyl) 4-methylcyclohexane-1-carboxylate.
Chemical Property Profile of 4-Bromophenyl 4-methylcyclohexanecarboxylate
Property Insights of 4-Bromophenyl 4-methylcyclohexanecarboxylate
The XLogP value of 4.1808 indicates that 4-Bromophenyl 4-methylcyclohexanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Bromophenyl 4-methylcyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromophenyl 4-methylcyclohexanecarboxylate 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 4-Bromophenyl 4-methylcyclohexanecarboxylate?
The CAS number of 4-Bromophenyl 4-methylcyclohexanecarboxylate is 313558-22-4.
What is the molecular formula of 4-Bromophenyl 4-methylcyclohexanecarboxylate?
The molecular formula of 4-Bromophenyl 4-methylcyclohexanecarboxylate is C14H17BrO2.
What is the molecular weight of 4-Bromophenyl 4-methylcyclohexanecarboxylate?
The molecular weight of 4-Bromophenyl 4-methylcyclohexanecarboxylate is 296.04 g/mol.
Where can I buy 4-Bromophenyl 4-methylcyclohexanecarboxylate?
You can request a quote for 4-Bromophenyl 4-methylcyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromophenyl 4-methylcyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromophenyl 4-methylcyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.