Ethanol, 1,2-dibromo-, 1-acetate
TL;DR: Ethanol, 1,2-dibromo-, 1-acetate (CAS 24442-57-7) is a chemical compound with molecular formula C4H6Br2O2 and molecular weight 243.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dibromoethyl acetate
Also Known As: 1,2-DIBROMOETHYL ACETATE, 1,2-dibromoethylacetate, 1,2-Dibromoethanol acetate, acetic acid 1,2-dibromo-ethyl ester, alpha,beta-Dibromoethyl acetate
| Molecular Formula | C4H6Br2O2 |
|---|---|
| Molecular Weight | 243.87 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.87141 |
| Heavy Atoms | 8 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 24442-57-7 |
|---|---|
| SMILES | CC(=O)OC(CBr)Br |
| InChIKey | UXPDRIMBYCEVCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanol, 1,2-dibromo-, 1-acetate (CAS 24442-57-7), with molecular formula C4H6Br2O2 and molecular weight 243.87 g/mol. IUPAC: 1,2-dibromoethyl acetate.
Chemical Property Profile of Ethanol, 1,2-dibromo-, 1-acetate
Property Insights of Ethanol, 1,2-dibromo-, 1-acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 1,2-dibromo-, 1-acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethanol, 1,2-dibromo-, 1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanol, 1,2-dibromo-, 1-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 Ethanol, 1,2-dibromo-, 1-acetate?
The CAS number of Ethanol, 1,2-dibromo-, 1-acetate is 24442-57-7.
What is the molecular formula of Ethanol, 1,2-dibromo-, 1-acetate?
The molecular formula of Ethanol, 1,2-dibromo-, 1-acetate is C4H6Br2O2.
What is the molecular weight of Ethanol, 1,2-dibromo-, 1-acetate?
The molecular weight of Ethanol, 1,2-dibromo-, 1-acetate is 243.87 g/mol.
Where can I buy Ethanol, 1,2-dibromo-, 1-acetate?
You can request a quote for Ethanol, 1,2-dibromo-, 1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 1,2-dibromo-, 1-acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 1,2-dibromo-, 1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.