Methyl 2-bromo-2-cyclohexylacetate
TL;DR: Methyl 2-bromo-2-cyclohexylacetate (CAS 58851-63-1) is a chemical compound with molecular formula C9H15BrO2 and molecular weight 234.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-bromo-2-cyclohexylacetate
Also Known As: methyl 2-bromo-2-cyclohexylacetate, methyl bromo(cyclohexyl)acetate, A-BROMO-CYCLOHEXANEACETIC ACID METHYL ESTER, methyl 2-bromo-2-cyclohexyl-acetate, Brom-cyclohexylessigsaeure-methylester
| Molecular Formula | C9H15BrO2 |
|---|---|
| Molecular Weight | 234.03 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.02554 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 58851-63-1 |
|---|---|
| SMILES | COC(=O)C(C1CCCCC1)Br |
| InChIKey | FVRCRECNPNQSKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-bromo-2-cyclohexylacetate (CAS 58851-63-1), with molecular formula C9H15BrO2 and molecular weight 234.03 g/mol. IUPAC: methyl 2-bromo-2-cyclohexylacetate.
Chemical Property Profile of Methyl 2-bromo-2-cyclohexylacetate
Property Insights of Methyl 2-bromo-2-cyclohexylacetate
The XLogP value of 3.3 indicates that Methyl 2-bromo-2-cyclohexylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-bromo-2-cyclohexylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-bromo-2-cyclohexylacetate 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 Methyl 2-bromo-2-cyclohexylacetate?
The CAS number of Methyl 2-bromo-2-cyclohexylacetate is 58851-63-1.
What is the molecular formula of Methyl 2-bromo-2-cyclohexylacetate?
The molecular formula of Methyl 2-bromo-2-cyclohexylacetate is C9H15BrO2.
What is the molecular weight of Methyl 2-bromo-2-cyclohexylacetate?
The molecular weight of Methyl 2-bromo-2-cyclohexylacetate is 234.03 g/mol.
Where can I buy Methyl 2-bromo-2-cyclohexylacetate?
You can request a quote for Methyl 2-bromo-2-cyclohexylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-bromo-2-cyclohexylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-bromo-2-cyclohexylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.