Cyclohexyl bromoacetate
TL;DR: Cyclohexyl bromoacetate (CAS 6950-94-3) is a chemical compound with molecular formula C8H13BrO2 and molecular weight 220.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 2-bromoacetate
Also Known As: cyclohexyl bromoacetate, cyclohexyl 2-bromoacetate, Bromoacetatecyclohexylester, Cyclohexyl bromacetate, cyclohexyl-2-bromoacetate
| Molecular Formula | C8H13BrO2 |
|---|---|
| Molecular Weight | 220.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.00989 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 6950-94-3 |
|---|---|
| SMILES | C1CCC(CC1)OC(=O)CBr |
| InChIKey | JTYINBWQGXHZLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexyl bromoacetate (CAS 6950-94-3), with molecular formula C8H13BrO2 and molecular weight 220.01 g/mol. IUPAC: cyclohexyl 2-bromoacetate.
Chemical Property Profile of Cyclohexyl bromoacetate
Property Insights of Cyclohexyl bromoacetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexyl bromoacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclohexyl bromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexyl bromoacetate 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 Cyclohexyl bromoacetate?
The CAS number of Cyclohexyl bromoacetate is 6950-94-3.
What is the molecular formula of Cyclohexyl bromoacetate?
The molecular formula of Cyclohexyl bromoacetate is C8H13BrO2.
What is the molecular weight of Cyclohexyl bromoacetate?
The molecular weight of Cyclohexyl bromoacetate is 220.01 g/mol.
Where can I buy Cyclohexyl bromoacetate?
You can request a quote for Cyclohexyl bromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexyl bromoacetate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexyl bromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.