Cyclohexanecarboxylic acid, 3-bromophenyl ester
TL;DR: Cyclohexanecarboxylic acid, 3-bromophenyl ester (CAS 81066-12-8) is a chemical compound with molecular formula C13H15BrO2 and molecular weight 282.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromophenyl) cyclohexanecarboxylate
Also Known As: (3-bromophenyl) cyclohexanecarboxylate, Cyclohexanecarboxylic acid, 3-bromophenyl ester, m-bromophenyl cyclohexanecarboxylate, 3-bromophenyl cyclohexanecarboxylate, RefChem:335339
| Molecular Formula | C13H15BrO2 |
|---|---|
| Molecular Weight | 282.03 g/mol |
| LogP | 3.9348 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.02554 |
| Heavy Atoms | 16 |
| Complexity | 369.9503 |
Chemical Identifiers
| CAS Number | 81066-12-8 |
|---|---|
| SMILES | C1CCC(CC1)C(=O)OC2=CC(=CC=C2)Br |
Product Overview
Cyclohexanecarboxylic acid, 3-bromophenyl ester (CAS 81066-12-8), with molecular formula C13H15BrO2 and molecular weight 282.03 g/mol. IUPAC: (3-bromophenyl) cyclohexanecarboxylate.
Chemical Property Profile of Cyclohexanecarboxylic acid, 3-bromophenyl ester
Property Insights of Cyclohexanecarboxylic acid, 3-bromophenyl ester
The XLogP value of 3.9348 indicates that Cyclohexanecarboxylic acid, 3-bromophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclohexanecarboxylic acid, 3-bromophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanecarboxylic acid, 3-bromophenyl ester 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 Cyclohexanecarboxylic acid, 3-bromophenyl ester?
The CAS number of Cyclohexanecarboxylic acid, 3-bromophenyl ester is 81066-12-8.
What is the molecular formula of Cyclohexanecarboxylic acid, 3-bromophenyl ester?
The molecular formula of Cyclohexanecarboxylic acid, 3-bromophenyl ester is C13H15BrO2.
What is the molecular weight of Cyclohexanecarboxylic acid, 3-bromophenyl ester?
The molecular weight of Cyclohexanecarboxylic acid, 3-bromophenyl ester is 282.03 g/mol.
Where can I buy Cyclohexanecarboxylic acid, 3-bromophenyl ester?
You can request a quote for Cyclohexanecarboxylic acid, 3-bromophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanecarboxylic acid, 3-bromophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanecarboxylic acid, 3-bromophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.