1-Bromocarbonyl-1-methylethyl acetate
TL;DR: 1-Bromocarbonyl-1-methylethyl acetate (CAS 67935-42-6) is a chemical compound with molecular formula C6H9BrO3 and molecular weight 207.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-bromo-2-methyl-1-oxopropan-2-yl) acetate
Also Known As: 2-Acetoxyisobutyryl bromide, 2-Acetoxy-2-methylpropionyl bromide, 2-Acetoxyisobutyrylbromide, 1-Bromocarbonyl-1-methylethyl acetate, alpha-Acetoxy-isobutyryl bromide
| Molecular Formula | C6H9BrO3 |
|---|---|
| Molecular Weight | 207.97 g/mol |
| LogP | 1.2496 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.97351 |
| Heavy Atoms | 10 |
| Complexity | 162.37587 |
Chemical Identifiers
| CAS Number | 67935-42-6 |
|---|---|
| SMILES | CC(=O)OC(C)(C)C(=O)Br |
Product Overview
1-Bromocarbonyl-1-methylethyl acetate (CAS 67935-42-6), with molecular formula C6H9BrO3 and molecular weight 207.97 g/mol. IUPAC: (1-bromo-2-methyl-1-oxopropan-2-yl) acetate.
Chemical Property Profile of 1-Bromocarbonyl-1-methylethyl acetate
Property Insights of 1-Bromocarbonyl-1-methylethyl acetate
The XLogP value of 1.2496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromocarbonyl-1-methylethyl acetate. With a topological polar surface area (TPSA) of 43.37 Ų, 1-Bromocarbonyl-1-methylethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromocarbonyl-1-methylethyl acetate 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 1-Bromocarbonyl-1-methylethyl acetate?
The CAS number of 1-Bromocarbonyl-1-methylethyl acetate is 67935-42-6.
What is the molecular formula of 1-Bromocarbonyl-1-methylethyl acetate?
The molecular formula of 1-Bromocarbonyl-1-methylethyl acetate is C6H9BrO3.
What is the molecular weight of 1-Bromocarbonyl-1-methylethyl acetate?
The molecular weight of 1-Bromocarbonyl-1-methylethyl acetate is 207.97 g/mol.
Where can I buy 1-Bromocarbonyl-1-methylethyl acetate?
You can request a quote for 1-Bromocarbonyl-1-methylethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromocarbonyl-1-methylethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromocarbonyl-1-methylethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.