2-Octyl-gamma-bromoacetoacetate
TL;DR: 2-Octyl-gamma-bromoacetoacetate (CAS 22509-90-6) is a chemical compound with molecular formula C12H21BrO3 and molecular weight 292.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octan-2-yl 4-bromo-3-oxobutanoate
Also Known As: 2-Octyl-gamma-bromoacetoacetate, octan-2-yl 4-bromo-3-oxobutanoate, 1-Methylheptyl-gamma-bromoacetoacetate, 2-octyl-, A-bromoacetoacetate
| Molecular Formula | C12H21BrO3 |
|---|---|
| Molecular Weight | 292.07 g/mol |
| LogP | 3.2426 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 292.0674 |
| Heavy Atoms | 16 |
| Complexity | 216.30942 |
Chemical Identifiers
| CAS Number | 22509-90-6 |
|---|---|
| SMILES | CCCCCCC(C)OC(=O)CC(=O)CBr |
Product Overview
2-Octyl-gamma-bromoacetoacetate (CAS 22509-90-6), with molecular formula C12H21BrO3 and molecular weight 292.07 g/mol. IUPAC: octan-2-yl 4-bromo-3-oxobutanoate.
Chemical Property Profile of 2-Octyl-gamma-bromoacetoacetate
Property Insights of 2-Octyl-gamma-bromoacetoacetate
The XLogP value of 3.2426 indicates that 2-Octyl-gamma-bromoacetoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2-Octyl-gamma-bromoacetoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Octyl-gamma-bromoacetoacetate has 0 hydrogen bond donor(s) and 3 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 2-Octyl-gamma-bromoacetoacetate?
The CAS number of 2-Octyl-gamma-bromoacetoacetate is 22509-90-6.
What is the molecular formula of 2-Octyl-gamma-bromoacetoacetate?
The molecular formula of 2-Octyl-gamma-bromoacetoacetate is C12H21BrO3.
What is the molecular weight of 2-Octyl-gamma-bromoacetoacetate?
The molecular weight of 2-Octyl-gamma-bromoacetoacetate is 292.07 g/mol.
Where can I buy 2-Octyl-gamma-bromoacetoacetate?
You can request a quote for 2-Octyl-gamma-bromoacetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Octyl-gamma-bromoacetoacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Octyl-gamma-bromoacetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.