1-(1-Bromo-1-methylethoxy)butane
TL;DR: 1-(1-Bromo-1-methylethoxy)butane (CAS 54833-04-4) is a chemical compound with molecular formula C7H15BrO and molecular weight 194.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-bromopropan-2-yloxy)butane
Also Known As: 1-(1-Bromo-1-methylethoxy)butane, 1-(2-bromopropan-2-yloxy)butane, Butane, 1-(1-bromo-1-methylethoxy)-, 1-[(2-bromopropan-2-yl)oxy]butane, 1-(1-Bromo-1-methylethoxy)butane #
| Molecular Formula | C7H15BrO |
|---|---|
| Molecular Weight | 194.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.03062 |
| Heavy Atoms | 9 |
| Complexity | 71.0 |
Chemical Identifiers
| CAS Number | 54833-04-4 |
|---|---|
| SMILES | CCCCOC(C)(C)Br |
| InChIKey | MMXCPASMLPEMGU-UHFFFAOYSA-N |
Product Overview
1-(1-Bromo-1-methylethoxy)butane (CAS 54833-04-4), with molecular formula C7H15BrO and molecular weight 194.03 g/mol. IUPAC: 1-(2-bromopropan-2-yloxy)butane.
Chemical Property Profile of 1-(1-Bromo-1-methylethoxy)butane
Property Insights of 1-(1-Bromo-1-methylethoxy)butane
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Bromo-1-methylethoxy)butane. With a topological polar surface area (TPSA) of 9.2 Ų, 1-(1-Bromo-1-methylethoxy)butane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Bromo-1-methylethoxy)butane 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 1-(1-Bromo-1-methylethoxy)butane?
The CAS number of 1-(1-Bromo-1-methylethoxy)butane is 54833-04-4.
What is the molecular formula of 1-(1-Bromo-1-methylethoxy)butane?
The molecular formula of 1-(1-Bromo-1-methylethoxy)butane is C7H15BrO.
What is the molecular weight of 1-(1-Bromo-1-methylethoxy)butane?
The molecular weight of 1-(1-Bromo-1-methylethoxy)butane is 194.03 g/mol.
Where can I buy 1-(1-Bromo-1-methylethoxy)butane?
You can request a quote for 1-(1-Bromo-1-methylethoxy)butane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Bromo-1-methylethoxy)butane?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Bromo-1-methylethoxy)butane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.