1-Bromo-4-methoxybutane
TL;DR: 1-Bromo-4-methoxybutane (CAS 4457-67-4) is a chemical compound with molecular formula C5H11BrO and molecular weight 166.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-methoxybutane
Also Known As: 1-Bromo-4-methoxybutane, 1-Methoxy-4-bromobutane, 4-Methoxybutyl bromide, 4-Bromobutyl methyl ether, Butane, 1-bromo-4-methoxy-
| Molecular Formula | C5H11BrO |
|---|---|
| Molecular Weight | 166.00 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 165.99933 |
| Heavy Atoms | 7 |
| Complexity | 31.0 |
Chemical Identifiers
| CAS Number | 4457-67-4 |
|---|---|
| SMILES | COCCCCBr |
| InChIKey | ALOQTNHQNMYBDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-4-methoxybutane (CAS 4457-67-4), with molecular formula C5H11BrO and molecular weight 166.00 g/mol. IUPAC: 1-bromo-4-methoxybutane.
Chemical Property Profile of 1-Bromo-4-methoxybutane
Property Insights of 1-Bromo-4-methoxybutane
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromo-4-methoxybutane. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Bromo-4-methoxybutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-4-methoxybutane 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-Bromo-4-methoxybutane?
The CAS number of 1-Bromo-4-methoxybutane is 4457-67-4.
What is the molecular formula of 1-Bromo-4-methoxybutane?
The molecular formula of 1-Bromo-4-methoxybutane is C5H11BrO.
What is the molecular weight of 1-Bromo-4-methoxybutane?
The molecular weight of 1-Bromo-4-methoxybutane is 166.00 g/mol.
Where can I buy 1-Bromo-4-methoxybutane?
You can request a quote for 1-Bromo-4-methoxybutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-4-methoxybutane?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-4-methoxybutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.