(4-Bromo-3-methyl-2-butenyl) acetate
TL;DR: (4-Bromo-3-methyl-2-butenyl) acetate (CAS 55311-87-0) is a chemical compound with molecular formula C7H11BrO2 and molecular weight 205.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-3-methylbut-2-enyl) acetate
Also Known As: 4-bromo-3-methylbut-2-enyl acetate, 1-acetoxy-4-bromo-3-methyl-2-butene, 4-acetoxy-1-bromo-2-methyl-2-butene, (4-bromo-3-methyl-2-butenyl) acetate, acetic acid,4-bromo-3-methylbut-2-en-1-ol
| Molecular Formula | C7H11BrO2 |
|---|---|
| Molecular Weight | 205.99 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.99425 |
| Heavy Atoms | 10 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 55311-87-0 |
|---|---|
| SMILES | CC(=CCOC(=O)C)CBr |
| InChIKey | KUGZCVGTOJHJEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Bromo-3-methyl-2-butenyl) acetate (CAS 55311-87-0), with molecular formula C7H11BrO2 and molecular weight 205.99 g/mol. IUPAC: (4-bromo-3-methylbut-2-enyl) acetate.
Chemical Property Profile of (4-Bromo-3-methyl-2-butenyl) acetate
Property Insights of (4-Bromo-3-methyl-2-butenyl) acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Bromo-3-methyl-2-butenyl) acetate. With a topological polar surface area (TPSA) of 26.3 Ų, (4-Bromo-3-methyl-2-butenyl) acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Bromo-3-methyl-2-butenyl) acetate 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-Bromo-3-methyl-2-butenyl) acetate?
The CAS number of (4-Bromo-3-methyl-2-butenyl) acetate is 55311-87-0.
What is the molecular formula of (4-Bromo-3-methyl-2-butenyl) acetate?
The molecular formula of (4-Bromo-3-methyl-2-butenyl) acetate is C7H11BrO2.
What is the molecular weight of (4-Bromo-3-methyl-2-butenyl) acetate?
The molecular weight of (4-Bromo-3-methyl-2-butenyl) acetate is 205.99 g/mol.
Where can I buy (4-Bromo-3-methyl-2-butenyl) acetate?
You can request a quote for (4-Bromo-3-methyl-2-butenyl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Bromo-3-methyl-2-butenyl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (4-Bromo-3-methyl-2-butenyl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.