Hexyl bromoacetate
TL;DR: Hexyl bromoacetate (CAS 13048-32-3) is a chemical compound with molecular formula C8H15BrO2 and molecular weight 222.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 2-bromoacetate
Also Known As: Hexyl bromoacetate, hexyl 2-bromoacetate, bromomethylcarbonyloxyhexane, Hexyl bromoacetate #, Bromoacetic acid, hexyl ester
| Molecular Formula | C8H15BrO2 |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 222.02554 |
| Heavy Atoms | 11 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 13048-32-3 |
|---|---|
| SMILES | CCCCCCOC(=O)CBr |
| InChIKey | NNPJKFMGVZNJHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl bromoacetate (CAS 13048-32-3), with molecular formula C8H15BrO2 and molecular weight 222.03 g/mol. IUPAC: hexyl 2-bromoacetate.
Chemical Property Profile of Hexyl bromoacetate
Property Insights of Hexyl bromoacetate
The XLogP value of 3.2 indicates that Hexyl bromoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexyl bromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 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 Hexyl bromoacetate?
The CAS number of Hexyl bromoacetate is 13048-32-3.
What is the molecular formula of Hexyl bromoacetate?
The molecular formula of Hexyl bromoacetate is C8H15BrO2.
What is the molecular weight of Hexyl bromoacetate?
The molecular weight of Hexyl bromoacetate is 222.03 g/mol.
Where can I buy Hexyl bromoacetate?
You can request a quote for Hexyl bromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl bromoacetate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl bromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.