Hexyl 2-bromopropanoate
TL;DR: Hexyl 2-bromopropanoate (CAS 28456-82-8) is a chemical compound with molecular formula C9H17BrO2 and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 2-bromopropanoate
Also Known As: Hexyl 2-bromopropanoate, 2- Bromopropionic acid, hexyl ester, 2-Bromopropanoic acid hexyl ester, Propanoic acid, 2-bromo, hexyl ester, 2-Bromopropionic acid, hexyl ester
| Molecular Formula | C9H17BrO2 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 236.04118 |
| Heavy Atoms | 12 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 28456-82-8 |
|---|---|
| SMILES | CCCCCCOC(=O)C(C)Br |
| InChIKey | CVIVDRZPZOBMDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl 2-bromopropanoate (CAS 28456-82-8), with molecular formula C9H17BrO2 and molecular weight 236.04 g/mol. IUPAC: hexyl 2-bromopropanoate.
Chemical Property Profile of Hexyl 2-bromopropanoate
Property Insights of Hexyl 2-bromopropanoate
The XLogP value of 3.6 indicates that Hexyl 2-bromopropanoate 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 2-bromopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 2-bromopropanoate 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 2-bromopropanoate?
The CAS number of Hexyl 2-bromopropanoate is 28456-82-8.
What is the molecular formula of Hexyl 2-bromopropanoate?
The molecular formula of Hexyl 2-bromopropanoate is C9H17BrO2.
What is the molecular weight of Hexyl 2-bromopropanoate?
The molecular weight of Hexyl 2-bromopropanoate is 236.04 g/mol.
Where can I buy Hexyl 2-bromopropanoate?
You can request a quote for Hexyl 2-bromopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl 2-bromopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl 2-bromopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.