4-Bromo-1,1-diethoxybutane
TL;DR: 4-Bromo-1,1-diethoxybutane (CAS 78668-96-9) is a chemical compound with molecular formula C8H17BrO2 and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1,1-diethoxybutane
Also Known As: 4-Bromo-1,1-diethoxybutane, Butane, 4-bromo-1,1-diethoxy-, 4-Bromo-1,1-diethoxybutane #, 4-BROMOBUTYRALDEHYDE DIETHYL ACETAL
| Molecular Formula | C8H17BrO2 |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 224.04118 |
| Heavy Atoms | 11 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 78668-96-9 |
|---|---|
| SMILES | CCOC(CCCBr)OCC |
| InChIKey | CHDTWRLRYKCRTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-1,1-diethoxybutane (CAS 78668-96-9), with molecular formula C8H17BrO2 and molecular weight 224.04 g/mol. IUPAC: 4-bromo-1,1-diethoxybutane.
Chemical Property Profile of 4-Bromo-1,1-diethoxybutane
Property Insights of 4-Bromo-1,1-diethoxybutane
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-1,1-diethoxybutane. With a topological polar surface area (TPSA) of 18.5 Ų, 4-Bromo-1,1-diethoxybutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-1,1-diethoxybutane 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 4-Bromo-1,1-diethoxybutane?
The CAS number of 4-Bromo-1,1-diethoxybutane is 78668-96-9.
What is the molecular formula of 4-Bromo-1,1-diethoxybutane?
The molecular formula of 4-Bromo-1,1-diethoxybutane is C8H17BrO2.
What is the molecular weight of 4-Bromo-1,1-diethoxybutane?
The molecular weight of 4-Bromo-1,1-diethoxybutane is 224.04 g/mol.
Where can I buy 4-Bromo-1,1-diethoxybutane?
You can request a quote for 4-Bromo-1,1-diethoxybutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-1,1-diethoxybutane?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-1,1-diethoxybutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.