2-Bromo-1,1,1-triethoxyethane
TL;DR: 2-Bromo-1,1,1-triethoxyethane (CAS 40070-39-1) is a chemical compound with molecular formula C8H17BrO3 and molecular weight 240.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1,1,1-triethoxyethane
Also Known As: 2-bromo-1,1,1-triethoxyethane, C(CBr)(OCC)(OCC)OCC, 1,1,1-Triethoxy-2-bromoethane, Ethane,2-bromo-1,1,1-triethoxy-, bromo-orthoacetic acid triethyl ester
| Molecular Formula | C8H17BrO3 |
|---|---|
| Molecular Weight | 240.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 240.03612 |
| Heavy Atoms | 12 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 40070-39-1 |
|---|---|
| SMILES | CCOC(CBr)(OCC)OCC |
| InChIKey | FVKSPKMLNBZIEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-1,1,1-triethoxyethane (CAS 40070-39-1), with molecular formula C8H17BrO3 and molecular weight 240.04 g/mol. IUPAC: 2-bromo-1,1,1-triethoxyethane.
Chemical Property Profile of 2-Bromo-1,1,1-triethoxyethane
Property Insights of 2-Bromo-1,1,1-triethoxyethane
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-1,1,1-triethoxyethane. With a topological polar surface area (TPSA) of 27.7 Ų, 2-Bromo-1,1,1-triethoxyethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1,1,1-triethoxyethane 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 2-Bromo-1,1,1-triethoxyethane?
The CAS number of 2-Bromo-1,1,1-triethoxyethane is 40070-39-1.
What is the molecular formula of 2-Bromo-1,1,1-triethoxyethane?
The molecular formula of 2-Bromo-1,1,1-triethoxyethane is C8H17BrO3.
What is the molecular weight of 2-Bromo-1,1,1-triethoxyethane?
The molecular weight of 2-Bromo-1,1,1-triethoxyethane is 240.04 g/mol.
Where can I buy 2-Bromo-1,1,1-triethoxyethane?
You can request a quote for 2-Bromo-1,1,1-triethoxyethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1,1,1-triethoxyethane?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1,1,1-triethoxyethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.