4-Methylpentan-2-yl bromoacetate
TL;DR: 4-Methylpentan-2-yl bromoacetate (CAS 59956-52-4) 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.
4-methylpentan-2-yl 2-bromoacetate
Also Known As: 4-Methylpentan-2-yl bromoacetate, 4-methylpentan-2-yl 2-bromoacetate
| Molecular Formula | C8H15BrO2 |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.02554 |
| Heavy Atoms | 11 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 59956-52-4 |
|---|---|
| SMILES | CC(C)CC(C)OC(=O)CBr |
| InChIKey | SHPHFJDZXKLUGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylpentan-2-yl bromoacetate (CAS 59956-52-4), with molecular formula C8H15BrO2 and molecular weight 222.03 g/mol. IUPAC: 4-methylpentan-2-yl 2-bromoacetate.
Chemical Property Profile of 4-Methylpentan-2-yl bromoacetate
Property Insights of 4-Methylpentan-2-yl bromoacetate
The XLogP value of 3.0 indicates that 4-Methylpentan-2-yl 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, 4-Methylpentan-2-yl bromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylpentan-2-yl 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 4-Methylpentan-2-yl bromoacetate?
The CAS number of 4-Methylpentan-2-yl bromoacetate is 59956-52-4.
What is the molecular formula of 4-Methylpentan-2-yl bromoacetate?
The molecular formula of 4-Methylpentan-2-yl bromoacetate is C8H15BrO2.
What is the molecular weight of 4-Methylpentan-2-yl bromoacetate?
The molecular weight of 4-Methylpentan-2-yl bromoacetate is 222.03 g/mol.
Where can I buy 4-Methylpentan-2-yl bromoacetate?
You can request a quote for 4-Methylpentan-2-yl bromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylpentan-2-yl bromoacetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylpentan-2-yl bromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.