2,2-Dimethylpropionyl bromide
TL;DR: 2,2-Dimethylpropionyl bromide (CAS 27644-18-4) is a chemical compound with molecular formula C5H9BrO and molecular weight 163.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropanoyl bromide
Also Known As: 2,2-dimethylpropanoyl bromide, 2,2-Dimethylpropionyl bromide, Pivalic acid bromide, trimethylacetyl bromide, 2,2-dimethylpropionylbromide
| Molecular Formula | C5H9BrO |
|---|---|
| Molecular Weight | 163.98 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.98367 |
| Heavy Atoms | 7 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 27644-18-4 |
|---|---|
| SMILES | CC(C)(C)C(=O)Br |
| InChIKey | PLUVDASVCADYIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethylpropionyl bromide (CAS 27644-18-4), with molecular formula C5H9BrO and molecular weight 163.98 g/mol. IUPAC: 2,2-dimethylpropanoyl bromide.
Chemical Property Profile of 2,2-Dimethylpropionyl bromide
Property Insights of 2,2-Dimethylpropionyl bromide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethylpropionyl bromide. With a topological polar surface area (TPSA) of 17.1 Ų, 2,2-Dimethylpropionyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethylpropionyl bromide has 0 hydrogen bond donor(s) and 1 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 2,2-Dimethylpropionyl bromide?
The CAS number of 2,2-Dimethylpropionyl bromide is 27644-18-4.
What is the molecular formula of 2,2-Dimethylpropionyl bromide?
The molecular formula of 2,2-Dimethylpropionyl bromide is C5H9BrO.
What is the molecular weight of 2,2-Dimethylpropionyl bromide?
The molecular weight of 2,2-Dimethylpropionyl bromide is 163.98 g/mol.
Where can I buy 2,2-Dimethylpropionyl bromide?
You can request a quote for 2,2-Dimethylpropionyl bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethylpropionyl bromide?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethylpropionyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.