2,2,2-Tribromoethyl acetate
TL;DR: 2,2,2-Tribromoethyl acetate (CAS 599-99-5) is a chemical compound with molecular formula C4H5Br3O2 and molecular weight 321.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-tribromoethyl acetate
Also Known As: Tribromoethyl acetate, Ethyl tribromoacetate, 2,2,2-tribromoethyl acetate, Acetic acid, ester with tribromoethanol, ACETIC ACID, 2,2,2-TRIBROMOETHYL ESTER
| Molecular Formula | C4H5Br3O2 |
|---|---|
| Molecular Weight | 321.78 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.78192 |
| Heavy Atoms | 9 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 599-99-5 |
|---|---|
| SMILES | CC(=O)OCC(Br)(Br)Br |
| InChIKey | MPDSFYNQRZIBCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,2-Tribromoethyl acetate (CAS 599-99-5), with molecular formula C4H5Br3O2 and molecular weight 321.78 g/mol. IUPAC: 2,2,2-tribromoethyl acetate.
Chemical Property Profile of 2,2,2-Tribromoethyl acetate
Property Insights of 2,2,2-Tribromoethyl acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Tribromoethyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2,2-Tribromoethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Tribromoethyl 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 2,2,2-Tribromoethyl acetate?
The CAS number of 2,2,2-Tribromoethyl acetate is 599-99-5.
What is the molecular formula of 2,2,2-Tribromoethyl acetate?
The molecular formula of 2,2,2-Tribromoethyl acetate is C4H5Br3O2.
What is the molecular weight of 2,2,2-Tribromoethyl acetate?
The molecular weight of 2,2,2-Tribromoethyl acetate is 321.78 g/mol.
Where can I buy 2,2,2-Tribromoethyl acetate?
You can request a quote for 2,2,2-Tribromoethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Tribromoethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Tribromoethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.